Ligand source activities (1 row/activity)





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Smiles

DOI

10327 10232 65 None - 1 Mouse 7.8 pEC50 = 7.8 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1021/acs.jmedchem.1c01220
5284330 10232 65 None - 1 Mouse 7.8 pEC50 = 7.8 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1021/acs.jmedchem.1c01220
CHEMBL1221983 10232 65 None - 1 Mouse 7.8 pEC50 = 7.8 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1021/acs.jmedchem.1c01220
164612791 191523 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1411 47 2 19 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4850805 191523 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1411 47 2 19 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164609689 191831 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1279 38 2 16 13.6 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4855383 191831 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1279 38 2 16 13.6 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164610344 192000 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1587 59 2 23 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4857875 192000 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1587 59 2 23 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164617125 192113 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1543 56 2 22 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4859799 192113 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1543 56 2 22 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164620070 192457 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1499 53 2 21 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4865069 192457 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1499 53 2 21 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164627959 193180 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1191 32 2 14 13.6 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4875874 193180 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1191 32 2 14 13.6 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164624904 192378 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1163 29 3 14 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4863797 192378 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1163 29 3 14 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164624752 192918 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1251 35 3 16 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4872118 192918 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1251 35 3 16 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164626857 193300 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1119 26 3 13 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCn4cc(COCCCCCCC(C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4877645 193300 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1119 26 3 13 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCn4cc(COCCCCCCC(C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164609131 191223 0 None - 1 Mouse 6.1 pEC50 = 6.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 519 7 1 5 6.8 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OC)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4846477 191223 0 None - 1 Mouse 6.1 pEC50 = 6.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 519 7 1 5 6.8 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OC)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164624113 192519 0 None - 1 Mouse 6.0 pEC50 = 6.0 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 806 23 2 13 6.0 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCO)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4866116 192519 0 None - 1 Mouse 6.0 pEC50 = 6.0 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 806 23 2 13 6.0 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCO)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
58006515 88257 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160072 88257 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
23725173 88259 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 5 2 5 6.9 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160074 88259 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 5 2 5 6.9 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CCO1 10.1016/j.bmcl.2012.09.013
24788599 88262 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 481 5 2 5 6.5 Clc1ccc(Nc2nccc3cc(N4CCOCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160077 88262 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 481 5 2 5 6.5 Clc1ccc(Nc2nccc3cc(N4CCOCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
24789011 88253 0 None - 1 Mouse 9.7 pIC50 = 9.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160068 88253 0 None - 1 Mouse 9.7 pIC50 = 9.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
24788668 88263 0 None - 1 Mouse 9.7 pIC50 = 9.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 5 2 4 5.1 Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160078 88263 0 None - 1 Mouse 9.7 pIC50 = 9.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 5 2 4 5.1 Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
24788948 88255 0 None - 1 Mouse 9.5 pIC50 = 9.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160070 88255 0 None - 1 Mouse 9.5 pIC50 = 9.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
24788207 88256 0 None - 1 Mouse 9.4 pIC50 = 9.4 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)ccnc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160071 88256 0 None - 1 Mouse 9.4 pIC50 = 9.4 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)ccnc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
49840814 88252 0 None 1 2 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160067 88252 0 None 1 2 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
24788725 88261 0 None - 1 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 479 5 2 4 7.7 Clc1ccc(Nc2nccc3cc(N4CCCCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160076 88261 0 None - 1 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 479 5 2 4 7.7 Clc1ccc(Nc2nccc3cc(N4CCCCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
24788727 88264 0 None - 1 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 413 6 2 4 5.3 COc1cc(OC)cc(C(=O)Nc2ccc(C)c(-c3ncc(-c4ccccc4)[nH]3)c2)c1 10.1016/j.bmcl.2012.09.013
CHEMBL2160079 88264 0 None - 1 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 413 6 2 4 5.3 COc1cc(OC)cc(C(=O)Nc2ccc(C)c(-c3ncc(-c4ccccc4)[nH]3)c2)c1 10.1016/j.bmcl.2012.09.013
145993194 173806 0 None - 1 Mouse 9.0 pIC50 = 9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 586 6 0 7 6.6 CN(C(=O)c1ccc(Oc2ccccc2)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4288592 173806 0 None - 1 Mouse 9.0 pIC50 = 9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 586 6 0 7 6.6 CN(C(=O)c1ccc(Oc2ccccc2)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
25226761 21846 0 None -1 2 Human 9.0 pIC50 = 9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 477 3 0 5 5.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209455 21846 0 None -1 2 Human 9.0 pIC50 = 9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 477 3 0 5 5.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
24776445 10769 115 None -1 6 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
4227 10769 115 None -1 6 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
6975 10769 115 None -1 6 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
CHEMBL473417 10769 115 None -1 6 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
DB08828 10769 115 None -1 6 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
23725173 88259 0 None - 1 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 5 2 5 6.9 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160074 88259 0 None - 1 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 5 2 5 6.9 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CCO1 10.1016/j.bmcl.2012.09.013
136210491 174435 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 524 8 4 6 5.4 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
CHEMBL4159710 174435 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 524 8 4 6 5.4 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
CHEMBL4301768 174435 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 524 8 4 6 5.4 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
76318208 112569 1 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 490 5 2 4 5.5 Cc1cccc(NC(=O)c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)ccc2Cl)c1C 10.1016/j.bmcl.2014.01.006
CHEMBL3126705 112569 1 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 490 5 2 4 5.5 Cc1cccc(NC(=O)c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)ccc2Cl)c1C 10.1016/j.bmcl.2014.01.006
56683156 71164 0 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 71164 0 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
57326206 81551 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 559 8 3 6 5.9 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031245 81551 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 559 8 3 6 5.9 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
123507448 174068 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 426 4 0 6 3.8 CN(C(=O)c1ccccc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4293519 174068 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 426 4 0 6 3.8 CN(C(=O)c1ccccc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
145989297 173860 0 None - 1 Mouse 5.0 pIC50 = 5.0 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 456 6 0 5 6.1 COc1cc(OC)c2c(=O)c(-c3cccc(OCc4ccc(C(F)(F)F)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4289632 173860 0 None - 1 Mouse 5.0 pIC50 = 5.0 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 456 6 0 5 6.1 COc1cc(OC)c2c(=O)c(-c3cccc(OCc4ccc(C(F)(F)F)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
2270563 57993 11 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 390 4 1 3 6.4 O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1580265 57993 11 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 390 4 1 3 6.4 O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
145959437 168913 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 452 8 2 7 4.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4161601 168913 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 452 8 2 7 4.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
49840814 88252 0 None 1 2 Mouse 8.0 pIC50 = 8.0 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160067 88252 0 None 1 2 Mouse 8.0 pIC50 = 8.0 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
70694242 81563 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 488 7 4 6 4.4 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031281 81563 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 488 7 4 6 4.4 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
136210512 81573 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3cccc(-c4ccccc4)c3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031291 81573 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3cccc(-c4ccccc4)c3)c2)cc(OC)c1OC 10.1021/jm2013369
145959437 168913 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 452 8 2 7 4.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4161601 168913 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 452 8 2 7 4.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56659676 70895 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 442 3 1 3 3.5 O=C(Nc1ccc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808282 70895 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 442 3 1 3 3.5 O=C(Nc1ccc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56659617 70948 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 3.7 O=C(Nc1ccccc1C(F)(F)F)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808460 70948 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 3.7 O=C(Nc1ccccc1C(F)(F)F)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
57326385 81554 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 468 6 2 8 4.2 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cn4ccsc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031256 81554 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 468 6 2 8 4.2 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cn4ccsc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
24788725 88261 0 None - 1 Mouse 7.9 pIC50 = 7.9 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 479 5 2 4 7.7 Clc1ccc(Nc2nccc3cc(N4CCCCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160076 88261 0 None - 1 Mouse 7.9 pIC50 = 7.9 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 479 5 2 4 7.7 Clc1ccc(Nc2nccc3cc(N4CCCCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
49862176 21765 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 426 3 0 4 4.8 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(F)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209074 21765 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 426 3 0 4 4.8 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(F)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
25226764 21831 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2cnccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209381 21831 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2cnccc12 10.1016/j.bmcl.2010.06.006
56669675 71171 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813102 71171 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56666261 71172 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813103 71172 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56673643 70804 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 535 4 1 4 4.8 O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807227 70804 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 535 4 1 4 4.8 O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56669951 70945 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1808457 70945 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
16011265 60187 7 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 7 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL1600636 60187 7 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 7 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
46040695 169792 5 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 451 6 1 3 5.5 O=C(Nc1cccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c1)OCc1ccccc1 10.1016/j.ejmech.2018.05.035
CHEMBL4175623 169792 5 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 451 6 1 3 5.5 O=C(Nc1cccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c1)OCc1ccccc1 10.1016/j.ejmech.2018.05.035
56673644 70807 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 471 4 1 6 2.5 Cn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1 10.1016/j.bmcl.2011.06.024
CHEMBL1807230 70807 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 471 4 1 6 2.5 Cn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1 10.1016/j.bmcl.2011.06.024
16011265 60187 7 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 7 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL1600636 60187 7 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 7 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145972105 171394 0 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 417 4 2 4 4.9 Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2C#N)ccn1 10.1016/j.ejmech.2018.02.034
CHEMBL4215992 171394 0 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 417 4 2 4 4.9 Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2C#N)ccn1 10.1016/j.ejmech.2018.02.034
3537781 71952 3 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 350 4 2 2 4.8 O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 10.1016/j.bmcl.2011.07.052
CHEMBL1824904 71952 3 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 350 4 2 2 4.8 O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 10.1016/j.bmcl.2011.07.052
56964691 81561 10 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 539 8 3 6 5.9 COc1cc(C(=O)NC(=O)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031277 81561 10 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 539 8 3 6 5.9 COc1cc(C(=O)NC(=O)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL1808447 70935 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 480 4 1 3 4.8 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@H](c4ccccc4)C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
57326482 81558 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 575 8 3 6 6.4 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031267 81558 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 575 8 3 6 6.4 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56672054 71953 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 351 5 2 2 4.9 O=C(Nc1ccc(CC(O)c2ccccc2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824905 71953 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 351 5 2 2 4.9 O=C(Nc1ccc(CC(O)c2ccccc2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
136210518 81570 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 556 8 4 6 5.9 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031288 81570 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 556 8 4 6 5.9 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56683156 71164 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 71164 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
56669674 71170 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813101 71170 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56676827 70894 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1c(Cl)cccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808281 70894 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1c(Cl)cccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56676768 70942 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 542 4 1 4 4.9 O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808454 70942 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 542 4 1 4 4.9 O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
10392802 190641 37 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 550 8 1 7 3.3 COc1cccc(CN(C(=O)CC(C)(C)C)[C@H]2C[C@@H](C(=O)N3CCNCC3)N(Cc3ccc4c(c3)OCO4)C2)c1 10.1021/jm2013369
CHEMBL480889 190641 37 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 550 8 1 7 3.3 COc1cccc(CN(C(=O)CC(C)(C)C)[C@H]2C[C@@H](C(=O)N3CCNCC3)N(Cc3ccc4c(c3)OCO4)C2)c1 10.1021/jm2013369
56679829 71169 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813100 71169 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
56673182 71182 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813112 71182 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
145988027 173934 0 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 469 5 0 7 3.8 CN(C)c1ccc(C(=O)N(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)cc1 10.1039/C7MD00104E
CHEMBL4290843 173934 0 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 469 5 0 7 3.8 CN(C)c1ccc(C(=O)N(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)cc1 10.1039/C7MD00104E
136210511 81572 23 None - 1 Human 7.8 pIC50 = 7.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031290 81572 23 None - 1 Human 7.8 pIC50 = 7.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56659616 70946 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 463 3 1 4 3.6 Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808458 70946 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 463 3 1 4 3.6 Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56683492 70890 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 398 7 1 3 2.8 CCCCCCNC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808277 70890 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 398 7 1 3 2.8 CCCCCCNC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
24788892 88260 0 None - 1 Mouse 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 396 4 2 3 6.7 Clc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160075 88260 0 None - 1 Mouse 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 396 4 2 3 6.7 Clc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
145992823 173600 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 444 4 0 6 3.9 CN(C(=O)c1ccc(F)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4284830 173600 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 444 4 0 6 3.9 CN(C(=O)c1ccc(F)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
25224531 21830 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2cccnc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209380 21830 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2cccnc12 10.1016/j.bmcl.2010.06.006
53363477 70808 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807231 70808 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
44464620 81560 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031273 81560 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
44464620 81560 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
CHEMBL2031273 81560 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
44464620 81560 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031273 81560 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
136210508 81576 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 482 7 4 6 4.4 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031295 81576 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 482 7 4 6 4.4 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
56670006 70898 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 480 4 0 3 4.4 CN(C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2011.06.024
CHEMBL1808285 70898 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 480 4 0 3 4.4 CN(C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2011.06.024
145981671 173317 0 None - 1 Mouse 4.8 pIC50 = 4.8 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 443 7 0 7 4.9 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccc(C#N)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4279361 173317 0 None - 1 Mouse 4.8 pIC50 = 4.8 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 443 7 0 7 4.9 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccc(C#N)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
145951647 169676 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 8 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4173721 169676 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 8 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
46890991 13808 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 462 3 0 4 5.6 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 10.1016/j.bmcl.2010.06.006
CHEMBL1084836 13808 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 462 3 0 4 5.6 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 10.1016/j.bmcl.2010.06.006
44517800 71957 0 None 1 2 Mouse 7.8 pIC50 = 7.8 Functional
Antagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometerAntagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometer
ChEMBL 442 4 1 3 6.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824909 71957 0 None 1 2 Mouse 7.8 pIC50 = 7.8 Functional
Antagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometerAntagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometer
ChEMBL 442 4 1 3 6.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
53361076 71184 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813114 71184 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
145951647 169676 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 8 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4173721 169676 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 8 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145993720 174141 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 532 7 0 7 5.4 CN(C(=O)c1ccc(OCc2ccccc2)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4294637 174141 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 532 7 0 7 5.4 CN(C(=O)c1ccc(OCc2ccccc2)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
56662793 71178 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813109 71178 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56673642 70802 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807225 70802 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56663080 70947 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 432 4 1 3 3.8 CC(C)c1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808459 70947 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 432 4 1 3 3.8 CC(C)c1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
57326301 81552 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 461 6 3 5 5.0 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031253 81552 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 461 6 3 5 5.0 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
57326484 81542 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 479 7 3 6 4.4 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031079 81542 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 479 7 3 6 4.4 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
24788892 88260 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 396 4 2 3 6.7 Clc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160075 88260 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 396 4 2 3 6.7 Clc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
6407374 13295 10 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 394 3 0 4 4.3 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.06.006
CHEMBL1082791 13295 10 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 394 3 0 4 4.3 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.06.006
49862220 21772 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 451 4 1 5 3.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(N)=O)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209132 21772 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 451 4 1 5 3.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(N)=O)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
44464376 81555 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 499 7 3 6 4.7 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031258 81555 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 499 7 3 6 4.7 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
136210509 81575 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 462 7 4 6 4.1 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031294 81575 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 462 7 4 6 4.1 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
56676825 70891 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 426 8 0 3 3.5 CCCCN(CCCC)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808278 70891 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 426 8 0 3 3.5 CCCCN(CCCC)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
71451512 88258 0 None - 1 Mouse 8.7 pIC50 = 8.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 529 5 2 6 5.9 O=S1(=O)CCN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CC1 10.1016/j.bmcl.2012.09.013
CHEMBL2160073 88258 0 None - 1 Mouse 8.7 pIC50 = 8.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 529 5 2 6 5.9 O=S1(=O)CCN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CC1 10.1016/j.bmcl.2012.09.013
46871827 13807 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1084835 13807 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
10333 10515 76 None 12 2 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1039/C7MD00104E
49848070 10515 76 None 12 2 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1039/C7MD00104E
CHEMBL2142592 10515 76 None 12 2 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1039/C7MD00104E
DB12550 10515 76 None 12 2 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1039/C7MD00104E
71458712 88302 0 None - 1 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
CHEMBL2160208 88302 0 None - 1 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
24788599 88262 0 None - 1 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 481 5 2 5 6.5 Clc1ccc(Nc2nccc3cc(N4CCOCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160077 88262 0 None - 1 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 481 5 2 5 6.5 Clc1ccc(Nc2nccc3cc(N4CCOCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
46891248 13775 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 438 4 1 5 4.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1084734 13775 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 438 4 1 5 4.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
25255940 13778 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 476 3 0 4 5.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1084738 13778 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 476 3 0 4 5.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
164609096 191222 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1063 26 3 13 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4846473 191222 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1063 26 3 13 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164613250 191361 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1240 38 3 17 10.6 CC(O)(CCCCCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4848651 191361 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1240 38 3 17 10.6 CC(O)(CCCCCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164614211 192027 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1152 32 3 15 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4858367 192027 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1152 32 3 15 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164615336 192207 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1196 35 3 16 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4861427 192207 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1196 35 3 16 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164613669 192226 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1328 44 3 19 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4861638 192226 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1328 44 3 19 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164613692 192238 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1107 29 3 14 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4861774 192238 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1107 29 3 14 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164621133 192801 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1504 56 3 23 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4870539 192801 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1504 56 3 23 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164625339 193004 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1416 50 3 21 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4873360 193004 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1416 50 3 21 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
56676957 70798 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 457 4 1 5 3.4 O=C(Nc1ccccc1-c1cnco1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807221 70798 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 457 4 1 5 3.4 O=C(Nc1ccccc1-c1cnco1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56670007 70899 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808286 70899 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
145979397 173309 0 None - 1 Mouse 5.7 pIC50 = 5.7 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 441 4 1 7 3.4 CN(C(=O)c1ccc(N)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4279209 173309 0 None - 1 Mouse 5.7 pIC50 = 5.7 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 441 4 1 7 3.4 CN(C(=O)c1ccc(N)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
49862221 21773 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 493 4 0 6 4.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N3CCOCC3)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209133 21773 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 493 4 0 6 4.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N3CCOCC3)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
56659805 70797 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 472 4 1 4 4.5 O=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807220 70797 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 472 4 1 4 4.5 O=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56683603 70803 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807226 70803 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56673457 70941 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808453 70941 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
136210505 81566 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 533 8 4 8 3.6 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(N4CCOCC4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031284 81566 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 533 8 4 8 3.6 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(N4CCOCC4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56663078 70937 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 482 4 1 5 3.2 COC(=O)c1cccc(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1Cl 10.1016/j.bmcl.2011.06.024
CHEMBL1808449 70937 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 482 4 1 5 3.2 COC(=O)c1cccc(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1Cl 10.1016/j.bmcl.2011.06.024
56676511 71183 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813113 71183 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
145982482 173180 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 471 5 0 8 3.7 CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4276902 173180 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 471 5 0 8 3.7 CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
145955974 169365 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2018.05.035
CHEMBL4168846 169365 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2018.05.035
145955974 169365 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2018.05.035
CHEMBL4168846 169365 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2018.05.035
56666698 70806 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807229 70806 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
46053738 169069 5 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 456 5 2 5 4.4 O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccccc1C(F)(F)F 10.1016/j.ejmech.2018.05.035
CHEMBL4164165 169069 5 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 456 5 2 5 4.4 O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccccc1C(F)(F)F 10.1016/j.ejmech.2018.05.035
56683433 70949 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 415 3 1 4 2.6 N#Cc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808461 70949 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 415 3 1 4 2.6 N#Cc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56680083 70950 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 420 4 1 4 2.7 COc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808462 70950 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 420 4 1 4 2.7 COc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
49862311 21798 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccncc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209248 21798 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccncc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
56680081 70934 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 502 4 1 3 5.7 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(c3cccc(-c4ccccc4)c3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808444 70934 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 502 4 1 3 5.7 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(c3cccc(-c4ccccc4)c3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
87057449 173886 0 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 486 7 0 6 6.1 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccc(C(F)(F)F)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4290044 173886 0 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 486 7 0 6 6.1 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccc(C(F)(F)F)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
53484000 71964 0 None -3 2 Mouse 7.6 pIC50 = 7.6 Functional
Antagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometerAntagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometer
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824916 71964 0 None -3 2 Mouse 7.6 pIC50 = 7.6 Functional
Antagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometerAntagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometer
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
145981333 173481 0 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 506 5 1 8 3.0 CN(C(=O)c1ccc(S(=O)(=O)O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4282560 173481 0 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 506 5 1 8 3.0 CN(C(=O)c1ccc(S(=O)(=O)O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
145980388 173429 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 518 6 0 7 5.6 CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4281406 173429 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 518 6 0 7 5.6 CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
56668558 71956 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 390 4 1 3 6.4 O=C(Nc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824908 71956 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 390 4 1 3 6.4 O=C(Nc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56668559 71965 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2ccnc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824917 71965 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2ccnc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
16731271 197730 0 None 4 2 Mouse 7.6 pIC50 = 7.6 Functional
Inhibition of endogenous mouse Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of endogenous mouse Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
CHEMBL5185871 197730 0 None 4 2 Mouse 7.6 pIC50 = 7.6 Functional
Inhibition of endogenous mouse Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of endogenous mouse Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
56676510 71166 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813097 71166 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56659677 70896 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 434 3 1 5 2.5 O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808283 70896 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 434 3 1 5 2.5 O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56675440 71966 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cncc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824918 71966 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cncc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56683158 71174 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813105 71174 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56663265 70799 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807222 70799 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
87057363 173642 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 396 7 0 6 4.8 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCC=C(C)C)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4285647 173642 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 396 7 0 6 4.8 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCC=C(C)C)c3)coc2c1 10.1016/j.ejmech.2018.07.017
145981584 173504 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 454 5 0 7 3.6 CN(C(=O)c1ccc(C=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4282987 173504 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 454 5 0 7 3.6 CN(C(=O)c1ccc(C=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
57326387 81557 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 573 8 3 6 6.2 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031263 81557 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 573 8 3 6 6.2 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
136210502 81564 9 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 448 7 4 6 3.7 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031282 81564 9 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 448 7 4 6 3.7 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
145987822 173938 0 None - 1 Mouse 6.5 pIC50 = 6.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 494 9 0 6 6.6 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4290935 173938 0 None - 1 Mouse 6.5 pIC50 = 6.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 494 9 0 6 6.6 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
136210502 81564 9 None - 1 Human 6.5 pIC50 = 6.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 448 7 4 6 3.7 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031282 81564 9 None - 1 Human 6.5 pIC50 = 6.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 448 7 4 6 3.7 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
71451511 88254 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2cnc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160069 88254 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2cnc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
9911630 196577 59 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 2 5 5.2 COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(N(C)C)ccc4[nH]3)c2)c1 10.1016/j.bmcl.2012.09.013
CHEMBL516246 196577 59 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 2 5 5.2 COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(N(C)C)ccc4[nH]3)c2)c1 10.1016/j.bmcl.2012.09.013
58006515 88257 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160072 88257 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
49862269 21785 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 466 4 0 6 4.6 CC(=O)Oc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.06.006
CHEMBL1209189 21785 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 466 4 0 6 4.6 CC(=O)Oc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.06.006
145980269 173264 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 510 4 0 4 6.1 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2ccc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4278388 173264 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 510 4 0 4 6.1 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2ccc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
76311001 112567 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 579 5 3 4 7.0 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)Nc3ccc(C(F)(F)F)cc3Cl)c2)c(Cl)c1 10.1016/j.bmcl.2014.01.006
CHEMBL3126692 112567 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 579 5 3 4 7.0 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)Nc3ccc(C(F)(F)F)cc3Cl)c2)c(Cl)c1 10.1016/j.bmcl.2014.01.006
10328 8068 66 None 3 2 Human 6.5 pIC50 = 6.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
442972 8068 66 None 3 2 Human 6.5 pIC50 = 6.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
CHEMBL254129 8068 66 None 3 2 Human 6.5 pIC50 = 6.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
16731271 197730 0 None -4 2 Human 6.5 pIC50 = 6.5 Functional
Inhibition of wild type Smo (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of wild type Smo (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
CHEMBL5185871 197730 0 None -4 2 Human 6.5 pIC50 = 6.5 Functional
Inhibition of wild type Smo (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of wild type Smo (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
164621785 192570 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 695 22 1 10 5.5 [N-]=[N+]=NCCOCCOCCOCCOCCOCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 10.1021/acs.jmedchem.1c01220
CHEMBL4866798 192570 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 695 22 1 10 5.5 [N-]=[N+]=NCCOCCOCCOCCOCCOCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 10.1021/acs.jmedchem.1c01220
53066218 169580 4 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 471 5 0 6 2.6 CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCN(c3ccccc3)CC2)n1 10.1016/j.ejmech.2018.05.035
CHEMBL4172388 169580 4 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 471 5 0 6 2.6 CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCN(c3ccccc3)CC2)n1 10.1016/j.ejmech.2018.05.035
56663266 70810 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 452 4 1 2 4.9 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)CC2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807233 70810 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 452 4 1 2 4.9 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)CC2C1 10.1016/j.bmcl.2011.06.024
145988186 173845 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 469 5 1 7 2.9 CN(C(=O)c1ccc(C(N)=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4289354 173845 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 469 5 1 7 2.9 CN(C(=O)c1ccc(C(N)=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
71451512 88258 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 529 5 2 6 5.9 O=S1(=O)CCN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CC1 10.1016/j.bmcl.2012.09.013
CHEMBL2160073 88258 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 529 5 2 6 5.9 O=S1(=O)CCN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CC1 10.1016/j.bmcl.2012.09.013
44517800 71957 0 None -1 2 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 442 4 1 3 6.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824909 71957 0 None -1 2 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 442 4 1 3 6.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56659615 70936 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 3 1 3 4.0 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3Cc4ccccc4C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808448 70936 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 3 1 3 4.0 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3Cc4ccccc4C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
145987515 173867 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 505 5 1 8 2.4 CN(C(=O)c1ccc(S(N)(=O)=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4289775 173867 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 505 5 1 8 2.4 CN(C(=O)c1ccc(S(N)(=O)=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
56675441 71967 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cccc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824919 71967 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cccc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
24776445 10769 115 None 1 6 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
4227 10769 115 None 1 6 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
6975 10769 115 None 1 6 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
CHEMBL473417 10769 115 None 1 6 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
DB08828 10769 115 None 1 6 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
136210510 81569 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 542 8 4 6 5.5 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031287 81569 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 542 8 4 6 5.5 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56673458 70943 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 526 3 1 3 5.0 O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808455 70943 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 526 3 1 3 5.0 O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56676826 70892 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808279 70892 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
87057452 174053 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 486 7 0 6 6.1 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccc(C(F)(F)F)cc4)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4293248 174053 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 486 7 0 6 6.1 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccc(C(F)(F)F)cc4)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
71451511 88254 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2cnc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160069 88254 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2cnc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
87057365 173947 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 464 10 0 6 6.6 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OC/C=C(\C)CCC=C(C)C)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4291101 173947 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 464 10 0 6 6.6 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OC/C=C(\C)CCC=C(C)C)c3)coc2c1 10.1016/j.ejmech.2018.07.017
145973007 171326 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 422 5 2 4 5.0 COc1cc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc23)cnc1-c1ccnc(C)c1 10.1016/j.ejmech.2018.02.034
CHEMBL4215124 171326 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 422 5 2 4 5.0 COc1cc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc23)cnc1-c1ccnc(C)c1 10.1016/j.ejmech.2018.02.034
56665113 71968 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2nccc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824920 71968 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2nccc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56663079 70938 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 438 3 1 3 3.7 Cc1c(Cl)cccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808450 70938 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 438 3 1 3 3.7 Cc1c(Cl)cccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
136210503 81574 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 482 7 4 6 4.4 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031292 81574 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 482 7 4 6 4.4 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
87057364 173696 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 418 7 0 6 5.1 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccccc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4286606 173696 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 418 7 0 6 5.1 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccccc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
49862270 21786 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 465 5 1 5 3.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CC(N)=O)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209190 21786 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 465 5 1 5 3.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CC(N)=O)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
44549004 71958 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2ncc(-c3ccccc3)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824910 71958 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2ncc(-c3ccccc3)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
76311004 112570 1 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 478 5 3 5 4.6 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(O)c3)c2)c(Cl)c1 10.1016/j.bmcl.2014.01.006
CHEMBL3126707 112570 1 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 478 5 3 5 4.6 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(O)c3)c2)c(Cl)c1 10.1016/j.bmcl.2014.01.006
24776445 10769 115 None -1 6 Mouse 6.4 pIC50 = 6.4 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.1c01220
4227 10769 115 None -1 6 Mouse 6.4 pIC50 = 6.4 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.1c01220
6975 10769 115 None -1 6 Mouse 6.4 pIC50 = 6.4 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.1c01220
CHEMBL473417 10769 115 None -1 6 Mouse 6.4 pIC50 = 6.4 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.1c01220
DB08828 10769 115 None -1 6 Mouse 6.4 pIC50 = 6.4 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.1c01220
10333 10515 76 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.ejmech.2021.113268
49848070 10515 76 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.ejmech.2021.113268
CHEMBL2142592 10515 76 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.ejmech.2021.113268
DB12550 10515 76 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.ejmech.2021.113268
56683157 71173 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813104 71173 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56964692 81559 19 None - 1 Human 7.4 pIC50 = 7.4 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 555 8 3 6 6.1 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031268 81559 19 None - 1 Human 7.4 pIC50 = 7.4 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 555 8 3 6 6.1 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
20885873 169552 7 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 436 7 2 7 3.7 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4171870 169552 7 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 436 7 2 7 3.7 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56676509 71165 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813096 71165 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
20885873 169552 7 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 436 7 2 7 3.7 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4171870 169552 7 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 436 7 2 7 3.7 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145953289 169442 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 468 8 3 8 3.4 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)(C)O)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4169989 169442 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 468 8 3 8 3.4 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)(C)O)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145973140 169834 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 1 7 4.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4176279 169834 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 1 7 4.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56679828 71168 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813099 71168 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
145953289 169442 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 468 8 3 8 3.4 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)(C)O)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4169989 169442 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 468 8 3 8 3.4 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)(C)O)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145973140 169834 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 1 7 4.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4176279 169834 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 1 7 4.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
44548374 71959 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 388 4 1 3 6.2 Cc1oc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nc1-c1ccccc1 10.1016/j.bmcl.2011.07.052
CHEMBL1824911 71959 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 388 4 1 3 6.2 Cc1oc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nc1-c1ccccc1 10.1016/j.bmcl.2011.07.052
56673505 70884 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 355 2 0 3 2.1 CC(C)(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808159 70884 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 355 2 0 3 2.1 CC(C)(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
24776445 10769 115 None -1 6 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.05.035
4227 10769 115 None -1 6 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.05.035
6975 10769 115 None -1 6 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.05.035
CHEMBL473417 10769 115 None -1 6 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.05.035
DB08828 10769 115 None -1 6 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.05.035
20885871 169301 6 None - 1 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4167751 169301 6 None - 1 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
50797410 169346 5 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 453 5 1 5 5.1 Cc1ccc(-c2cc3c(N4CCC(C(=O)NC(C)c5ccccc5)CC4)nccn3n2)cc1C 10.1016/j.ejmech.2018.05.035
CHEMBL4168517 169346 5 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 453 5 1 5 5.1 Cc1ccc(-c2cc3c(N4CCC(C(=O)NC(C)c5ccccc5)CC4)nccn3n2)cc1C 10.1016/j.ejmech.2018.05.035
56666699 70809 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 5 1 3 5.8 O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.024
CHEMBL1807232 70809 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 5 1 3 5.8 O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.024
20885871 169301 6 None - 1 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4167751 169301 6 None - 1 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56658189 71969 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2cc(-c3ccccc3)ncn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824921 71969 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2cc(-c3ccccc3)ncn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
10328 8068 66 None -3 2 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
442972 8068 66 None -3 2 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
CHEMBL254129 8068 66 None -3 2 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
56668557 71954 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 333 4 1 1 5.8 O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824906 71954 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 333 4 1 1 5.8 O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
24788948 88255 0 None - 1 Mouse 8.3 pIC50 = 8.3 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160070 88255 0 None - 1 Mouse 8.3 pIC50 = 8.3 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
56669676 71175 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813106 71175 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56679830 71176 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813107 71176 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
46891299 13777 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 451 4 0 5 4.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1084737 13777 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 451 4 0 5 4.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
46890990 14068 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1086048 14068 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
25226762 21845 0 None -1 2 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209454 21845 0 None -1 2 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
56683156 71164 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 71164 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
56659601 70900 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 454 5 1 3 4.1 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808288 70900 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 454 5 1 3 4.1 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56666542 70940 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 476 3 1 3 4.2 O=C(Nc1ccc(F)c(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808452 70940 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 476 3 1 3 4.2 O=C(Nc1ccc(F)c(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
57326483 81543 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 499 7 3 6 4.7 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031080 81543 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 499 7 3 6 4.7 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
145950937 169550 0 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 424 7 2 7 3.6 CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 10.1016/j.ejmech.2018.05.035
CHEMBL4171838 169550 0 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 424 7 2 7 3.6 CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 10.1016/j.ejmech.2018.05.035
20885876 169019 7 None - 1 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 464 7 2 7 4.5 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4163487 169019 7 None - 1 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 464 7 2 7 4.5 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145950937 169550 0 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 424 7 2 7 3.6 CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 10.1016/j.ejmech.2018.05.035
CHEMBL4171838 169550 0 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 424 7 2 7 3.6 CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 10.1016/j.ejmech.2018.05.035
56673459 70944 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1808456 70944 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
20885876 169019 7 None - 1 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 464 7 2 7 4.5 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4163487 169019 7 None - 1 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 464 7 2 7 4.5 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56680082 70939 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 438 3 1 3 3.7 Cc1cccc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808451 70939 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 438 3 1 3 3.7 Cc1cccc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
49862313 21800 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccn2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209250 21800 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccn2)c2ccccc12 10.1016/j.bmcl.2010.06.006
145963332 168867 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2018.05.035
CHEMBL4160906 168867 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2018.05.035
145963332 168867 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2018.05.035
CHEMBL4160906 168867 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2018.05.035
24789011 88253 0 None - 1 Mouse 8.2 pIC50 = 8.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160068 88253 0 None - 1 Mouse 8.2 pIC50 = 8.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
56683159 71181 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813111 71181 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
24776445 10769 115 None -1 6 Mouse 8.2 pIC50 = 8.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.02.034
4227 10769 115 None -1 6 Mouse 8.2 pIC50 = 8.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.02.034
6975 10769 115 None -1 6 Mouse 8.2 pIC50 = 8.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.02.034
CHEMBL473417 10769 115 None -1 6 Mouse 8.2 pIC50 = 8.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.02.034
DB08828 10769 115 None -1 6 Mouse 8.2 pIC50 = 8.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.02.034
56658188 71963 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 383 4 1 1 6.9 O=C(Nc1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824915 71963 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 383 4 1 1 6.9 O=C(Nc1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56673517 70889 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 396 3 1 3 2.5 O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808276 70889 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 396 3 1 3 2.5 O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
50835422 71960 3 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824912 71960 3 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
136244207 81567 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 494 7 4 9 3.5 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3cn4ccsc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031285 81567 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 494 7 4 9 3.5 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3cn4ccsc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
1139102 81544 52 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031084 81544 52 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
1139102 81544 52 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
CHEMBL2031084 81544 52 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
1139102 81544 52 None - 1 Human 6.2 pIC50 = 6.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031084 81544 52 None - 1 Human 6.2 pIC50 = 6.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
25224707 21829 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ncccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209379 21829 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ncccc12 10.1016/j.bmcl.2010.06.006
145953652 169325 0 None - 1 Mouse 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 478 7 2 7 4.9 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4168100 169325 0 None - 1 Mouse 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 478 7 2 7 4.9 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145953652 169325 0 None - 1 Mouse 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 478 7 2 7 4.9 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4168100 169325 0 None - 1 Mouse 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 478 7 2 7 4.9 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
86343736 173498 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 498 5 0 6 5.3 CN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4282915 173498 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 498 5 0 6 5.3 CN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
87057451 173874 0 None - 1 Mouse 5.2 pIC50 = 5.2 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 418 7 0 6 5.1 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccccc4)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4289866 173874 0 None - 1 Mouse 5.2 pIC50 = 5.2 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 418 7 0 6 5.1 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccccc4)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
87057453 173308 0 None - 1 Mouse 5.2 pIC50 = 5.2 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 396 7 0 6 4.8 COc1cc(OC)c2c(=O)c(-c3ccc(OCC=C(C)C)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4279181 173308 0 None - 1 Mouse 5.2 pIC50 = 5.2 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 396 7 0 6 4.8 COc1cc(OC)c2c(=O)c(-c3ccc(OCC=C(C)C)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
24776445 10769 115 None 1 6 Human 8.2 pIC50 = 8.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
4227 10769 115 None 1 6 Human 8.2 pIC50 = 8.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
6975 10769 115 None 1 6 Human 8.2 pIC50 = 8.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
CHEMBL473417 10769 115 None 1 6 Human 8.2 pIC50 = 8.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
DB08828 10769 115 None 1 6 Human 8.2 pIC50 = 8.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
53484000 71964 0 None 3 2 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824916 71964 0 None 3 2 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
136210506 81565 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 444 6 4 5 4.6 COc1cc(C(=O)NC(=N)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031283 81565 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 444 6 4 5 4.6 COc1cc(C(=O)NC(=N)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
136210504 81571 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 558 8 4 6 6.1 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031289 81571 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 558 8 4 6 6.1 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
132578555 159391 35 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 410 4 2 3 5.2 Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2F)ccn1 10.1016/j.ejmech.2018.02.034
CHEMBL3972086 159391 35 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 410 4 2 3 5.2 Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2F)ccn1 10.1016/j.ejmech.2018.02.034
145957855 168798 0 None - 1 Mouse 5.1 pIC50 = 5.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 466 6 2 8 3.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCC(O)C4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4159684 168798 0 None - 1 Mouse 5.1 pIC50 = 5.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 466 6 2 8 3.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCC(O)C4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145957855 168798 0 None - 1 Mouse 5.1 pIC50 = 5.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 466 6 2 8 3.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCC(O)C4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4159684 168798 0 None - 1 Mouse 5.1 pIC50 = 5.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 466 6 2 8 3.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCC(O)C4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56670005 70893 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808280 70893 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56678777 71955 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 349 5 1 2 5.0 O=C(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 10.1016/j.bmcl.2011.07.052
CHEMBL1824907 71955 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 349 5 1 2 5.0 O=C(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 10.1016/j.bmcl.2011.07.052
49862312 21799 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2cccnc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209249 21799 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2cccnc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
24788207 88256 0 None - 1 Mouse 8.1 pIC50 = 8.1 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)ccnc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160071 88256 0 None - 1 Mouse 8.1 pIC50 = 8.1 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)ccnc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
49862371 21810 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 447 3 0 5 4.9 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2ccc3ccccc32)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209314 21810 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 447 3 0 5 4.9 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2ccc3ccccc32)c2ccccc12 10.1016/j.bmcl.2010.06.006
46181999 71180 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813110 71180 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
16731271 197730 0 None -4 2 Human 8.1 pIC50 = 8.1 Functional
Inhibition of endogenous human Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of endogenous human Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
CHEMBL5185871 197730 0 None -4 2 Human 8.1 pIC50 = 8.1 Functional
Inhibition of endogenous human Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of endogenous human Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
49862314 21801 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 397 3 0 5 3.8 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2cccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209251 21801 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 397 3 0 5 3.8 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2cccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
44464875 81541 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 559 8 3 6 6.2 COc1cc(C(=O)NC(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031077 81541 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 559 8 3 6 6.2 COc1cc(C(=O)NC(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56659806 70805 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 497 5 1 5 3.8 COc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1807228 70805 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 497 5 1 5 3.8 COc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1 10.1016/j.bmcl.2011.06.024
57326302 81553 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 462 6 2 7 4.2 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cn4ccccc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031254 81553 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 462 6 2 7 4.2 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cn4ccccc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
56673518 70897 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808284 70897 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
145990561 173588 0 None - 1 Mouse 6.1 pIC50 = 6.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 470 5 2 8 1.5 CN(C(=O)c1ccc(B(O)O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4284509 173588 0 None - 1 Mouse 6.1 pIC50 = 6.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 470 5 2 8 1.5 CN(C(=O)c1ccc(B(O)O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
56679827 71167 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813098 71167 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
1300425 71961 9 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 375 4 1 4 5.3 O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824913 71961 9 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 375 4 1 4 5.3 O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56669677 71177 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813108 71177 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56680278 70800 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 467 4 1 4 3.8 O=C(Nc1ccncc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807223 70800 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 467 4 1 4 3.8 O=C(Nc1ccncc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56673641 70801 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccc(Cl)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807224 70801 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccc(Cl)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
44463317 81546 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 541 8 3 6 5.8 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031098 81546 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 541 8 3 6 5.8 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
136210517 81568 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 444 6 3 6 4.4 COc1cc(C(=O)NC(=N)Nc2cccc(-n3ccc4ccccc43)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031286 81568 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 444 6 3 6 4.4 COc1cc(C(=O)NC(=N)Nc2cccc(-n3ccc4ccccc43)c2)cc(OC)c1OC 10.1021/jm2013369
44548378 71962 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2coc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824914 71962 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2coc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56668560 71970 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2ccnc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824922 71970 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2ccnc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
20859887 169504 3 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 463 5 1 4 5.7 Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC2CCCc3ccccc32)CC1 10.1016/j.ejmech.2018.05.035
CHEMBL4171049 169504 3 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 463 5 1 4 5.7 Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC2CCCc3ccccc32)CC1 10.1016/j.ejmech.2018.05.035
45100669 112808 32 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity incubated for 24 hrs by dual luciferase assayAntagonist activity at resistant Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity incubated for 24 hrs by dual luciferase assay
ChEMBL 432 5 1 7 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C 10.1016/j.ejmech.2021.113268
CHEMBL3133037 112808 32 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity incubated for 24 hrs by dual luciferase assayAntagonist activity at resistant Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity incubated for 24 hrs by dual luciferase assay
ChEMBL 432 5 1 7 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C 10.1016/j.ejmech.2021.113268
10326 8651 49 None 1 2 Human 5.9 pEC50 = 5.9 Functional
Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.
Guide to Pharmacology 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 23448715
54683103 8651 49 None 1 2 Human 5.9 pEC50 = 5.9 Functional
Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.
Guide to Pharmacology 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 23448715
CHEMBL3947608 8651 49 None 1 2 Human 5.9 pEC50 = 5.9 Functional
Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.
Guide to Pharmacology 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 23448715
10327 10232 65 None - 1 Mouse 8.5 pEC50 = 8.5 Functional
Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 12391318
5284330 10232 65 None - 1 Mouse 8.5 pEC50 = 8.5 Functional
Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 12391318
CHEMBL1221983 10232 65 None - 1 Mouse 8.5 pEC50 = 8.5 Functional
Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 12391318
10356 10010 95 None -1 2 Human 6.0 pEC50 ~ 6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 16408088
5284329 10010 95 None -1 2 Human 6.0 pEC50 ~ 6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 16408088
CHEMBL1221984 10010 95 None -1 2 Human 6.0 pEC50 ~ 6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 16408088
25166913 8584 58 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
5304 8584 58 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
8201 8584 58 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
CHEMBL2043437 8584 58 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
DB11978 8584 58 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
24776445 10769 115 None -1 6 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
4227 10769 115 None -1 6 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
6975 10769 115 None -1 6 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
CHEMBL473417 10769 115 None -1 6 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
DB08828 10769 115 None -1 6 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
25166913 8584 58 None 1 2 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
5304 8584 58 None 1 2 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
8201 8584 58 None 1 2 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
CHEMBL2043437 8584 58 None 1 2 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
DB11978 8584 58 None 1 2 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
10334 7216 22 None 1 2 Mouse 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 27180012
24905375 7216 22 None 1 2 Mouse 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 27180012
CHEMBL485870 7216 22 None 1 2 Mouse 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 27180012
10333 10515 76 None -12 2 Human 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 28688278
49848070 10515 76 None -12 2 Human 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 28688278
CHEMBL2142592 10515 76 None -12 2 Human 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 28688278
DB12550 10515 76 None -12 2 Human 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 28688278
10331 10240 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 479 9 2 5 6.3 CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl 12391318
1367095 10240 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 479 9 2 5 6.3 CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl 12391318
CHEMBL514344 10240 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 479 9 2 5 6.3 CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl 12391318
10329 8069 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Measuring Hh pathway inhibition in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring Hh pathway inhibition in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 697 12 2 5 7.3 CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2 10984056
4184747 8069 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Measuring Hh pathway inhibition in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring Hh pathway inhibition in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 697 12 2 5 7.3 CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2 10984056
25166913 8584 58 None 1 2 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 24900436
5304 8584 58 None 1 2 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 24900436
8201 8584 58 None 1 2 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 24900436
CHEMBL2043437 8584 58 None 1 2 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 24900436
DB11978 8584 58 None 1 2 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 24900436
44187367 10511 32 None 18 2 Mouse 8.4 pIC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 22898254
8200 10511 32 None 18 2 Mouse 8.4 pIC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 22898254
CHEMBL2205230 10511 32 None 18 2 Mouse 8.4 pIC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 22898254
53344810 7344 6 None 2 2 Human 8.5 pIC50 = 8.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
7716 7344 6 None 2 2 Human 8.5 pIC50 = 8.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
CHEMBL4637222 7344 6 None 2 2 Human 8.5 pIC50 = 8.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
53344810 7344 6 None -2 2 Mouse 8.8 pIC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
7716 7344 6 None -2 2 Mouse 8.8 pIC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
CHEMBL4637222 7344 6 None -2 2 Mouse 8.8 pIC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
25027363 10249 31 None - 1 Human 8.9 pIC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 19522463
8198 10249 31 None - 1 Human 8.9 pIC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 19522463
CHEMBL538867 10249 31 None - 1 Human 8.9 pIC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 19522463
DB12655 10249 31 None - 1 Human 8.9 pIC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 19522463
10328 8068 66 None -3 2 Mouse 7.0 pIC50 ~ 7 Functional
Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 27338657
442972 8068 66 None -3 2 Mouse 7.0 pIC50 ~ 7 Functional
Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 27338657
CHEMBL254129 8068 66 None -3 2 Mouse 7.0 pIC50 ~ 7 Functional
Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 27338657




Ligands (move mouse cursor over ligand name to see structure) Receptor Assay information Chemical information
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DOI

25253713 183840 5 None - 0 Human 9.3 pEC50 = 9.3 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4632769 183840 5 None - 0 Human 9.3 pEC50 = 9.3 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156019072 184659 0 None - 0 Mouse 9.1 pEC50 = 9.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 409 6 1 4 5.6 Cc1cc(C)c(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4644674 184659 0 None - 0 Mouse 9.1 pEC50 = 9.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 409 6 1 4 5.6 Cc1cc(C)c(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156013465 184277 0 None - 0 Mouse 9.1 pEC50 = 9.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 429 6 1 5 6.0 Cc1csc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)n1 10.1016/j.bmc.2019.115227
CHEMBL4639432 184277 0 None - 0 Mouse 9.1 pEC50 = 9.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 429 6 1 5 6.0 Cc1csc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)n1 10.1016/j.bmc.2019.115227
25253713 183840 5 None - 0 Mouse 9.0 pEC50 = 9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4632769 183840 5 None - 0 Mouse 9.0 pEC50 = 9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156019009 184564 0 None - 0 Mouse 9.0 pEC50 = 9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 424 6 2 5 5.2 Cc1cc(C)c(-c2ccc(N)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4643226 184564 0 None - 0 Mouse 9.0 pEC50 = 9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 424 6 2 5 5.2 Cc1cc(C)c(-c2ccc(N)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156021408 184889 0 None - 0 Mouse 9.0 pEC50 = 9.0 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 2 4 5.2 Cc1cc(C)c(-c2c[nH]nc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4648026 184889 0 None - 0 Mouse 9.0 pEC50 = 9.0 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 2 4 5.2 Cc1cc(C)c(-c2c[nH]nc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
53344810 7344 6 None - 0 Human 8.8 pEC50 = 8.8 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
7716 7344 6 None - 0 Human 8.8 pEC50 = 8.8 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
CHEMBL4637222 7344 6 None - 0 Human 8.8 pEC50 = 8.8 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
156012199 184112 0 None - 0 Mouse 8.8 pEC50 = 8.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 424 6 2 5 5.2 Cc1cc(C)c(-c2cccc(N)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4637249 184112 0 None - 0 Mouse 8.8 pEC50 = 8.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 424 6 2 5 5.2 Cc1cc(C)c(-c2cccc(N)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
10356 10010 95 None - 0 Human 6.0 pEC50 = 6 Binding
Agonist activity at SMO receptor (unknown origin)Agonist activity at SMO receptor (unknown origin)
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1021/acs.jnatprod.2c00866
5284329 10010 95 None - 0 Human 6.0 pEC50 = 6 Binding
Agonist activity at SMO receptor (unknown origin)Agonist activity at SMO receptor (unknown origin)
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1021/acs.jnatprod.2c00866
CHEMBL1221984 10010 95 None - 0 Human 6.0 pEC50 = 6 Binding
Agonist activity at SMO receptor (unknown origin)Agonist activity at SMO receptor (unknown origin)
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1021/acs.jnatprod.2c00866
25181471 83257 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2ncc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059862 83257 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2ncc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
67378301 82827 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 436 6 2 6 4.6 Cc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2057337 82827 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 436 6 2 6 4.6 Cc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
10326 8651 49 None - 0 Mouse 5.9 pEC50 = 5.9 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 10.1016/j.ejmech.2016.05.062
54683103 8651 49 None - 0 Mouse 5.9 pEC50 = 5.9 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 10.1016/j.ejmech.2016.05.062
CHEMBL3947608 8651 49 None - 0 Mouse 5.9 pEC50 = 5.9 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 10.1016/j.ejmech.2016.05.062
134133528 150342 0 None - 0 Mouse 5.9 pEC50 = 5.9 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 7 2 6 4.2 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(C)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3899175 150342 0 None - 0 Mouse 5.9 pEC50 = 5.9 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 7 2 6 4.2 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(C)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
25253556 83260 15 None - 0 Mouse 7.9 pEC50 = 7.9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059865 83260 15 None - 0 Mouse 7.9 pEC50 = 7.9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156012240 184195 0 None - 0 Mouse 7.9 pEC50 = 7.9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2ncc[nH]2)c(C)c1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4638476 184195 0 None - 0 Mouse 7.9 pEC50 = 7.9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2ncc[nH]2)c(C)c1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
25253556 83260 15 None - 0 Human 7.9 pEC50 = 7.9 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059865 83260 15 None - 0 Human 7.9 pEC50 = 7.9 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
10327 10232 65 None - 1 Mouse 6.9 pEC50 = 6.9 Binding
Agonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayAgonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
5284330 10232 65 None - 1 Mouse 6.9 pEC50 = 6.9 Binding
Agonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayAgonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
CHEMBL1221983 10232 65 None - 1 Mouse 6.9 pEC50 = 6.9 Binding
Agonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayAgonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
25253556 83260 15 None - 0 Human 6.9 pEC50 = 6.9 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059865 83260 15 None - 0 Human 6.9 pEC50 = 6.9 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
132991430 158606 0 None - 0 Mouse 6.9 pEC50 = 6.9 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 500 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 500 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3965352 158606 0 None - 0 Mouse 6.9 pEC50 = 6.9 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 500 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 500 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
67374621 83259 2 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1 10.1016/j.bmcl.2012.04.104
CHEMBL2059864 83259 2 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1 10.1016/j.bmcl.2012.04.104
54687077 152937 13 None - 0 Mouse 5.8 pEC50 = 5.8 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 464 11 2 6 5.5 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3919826 152937 13 None - 0 Mouse 5.8 pEC50 = 5.8 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 464 11 2 6 5.5 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
68780150 184060 0 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 402 6 2 4 4.8 Cc1cc(F)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4636326 184060 0 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 402 6 2 4 4.8 Cc1cc(F)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
70694800 83270 1 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059875 83270 1 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
25253556 83260 15 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059865 83260 15 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
67374618 83256 1 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059861 83256 1 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
67374618 83256 1 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059861 83256 1 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
24776445 10769 115 None - 1 Human 8.7 pEC50 = 8.7 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
4227 10769 115 None - 1 Human 8.7 pEC50 = 8.7 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
6975 10769 115 None - 1 Human 8.7 pEC50 = 8.7 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
CHEMBL473417 10769 115 None - 1 Human 8.7 pEC50 = 8.7 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
DB08828 10769 115 None - 1 Human 8.7 pEC50 = 8.7 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
24776445 10769 115 None - 1 Mouse 8.7 pEC50 = 8.7 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
4227 10769 115 None - 1 Mouse 8.7 pEC50 = 8.7 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
6975 10769 115 None - 1 Mouse 8.7 pEC50 = 8.7 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
CHEMBL473417 10769 115 None - 1 Mouse 8.7 pEC50 = 8.7 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
DB08828 10769 115 None - 1 Mouse 8.7 pEC50 = 8.7 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
156018577 184633 0 None - 0 Mouse 8.6 pEC50 = 8.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 409 6 1 4 5.6 Cc1cc(C)c(-c2cccnc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4644175 184633 0 None - 0 Mouse 8.6 pEC50 = 8.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 409 6 1 4 5.6 Cc1cc(C)c(-c2cccnc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
53344810 7344 6 None - 0 Mouse 8.6 pEC50 = 8.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
7716 7344 6 None - 0 Mouse 8.6 pEC50 = 8.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
CHEMBL4637222 7344 6 None - 0 Mouse 8.6 pEC50 = 8.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
141233592 184065 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 446 6 1 5 5.6 Cc1cc(Cl)c(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4636369 184065 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 446 6 1 5 5.6 Cc1cc(Cl)c(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
123232871 184391 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 2 4 5.2 Cc1ncc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)[nH]1 10.1016/j.bmc.2019.115227
CHEMBL4640840 184391 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 2 4 5.2 Cc1ncc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)[nH]1 10.1016/j.bmc.2019.115227
25253713 183840 5 None - 0 Mouse 7.7 pEC50 = 7.7 Binding
Binding affinity to mouse SMOBinding affinity to mouse SMO
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4632769 183840 5 None - 0 Mouse 7.7 pEC50 = 7.7 Binding
Binding affinity to mouse SMOBinding affinity to mouse SMO
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
67618850 159639 0 None - 0 Mouse 5.7 pEC50 = 5.7 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 498 10 2 6 5.9 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCc3ccccc3)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3974265 159639 0 None - 0 Mouse 5.7 pEC50 = 5.7 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 498 10 2 6 5.9 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCc3ccccc3)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
70690618 83263 1 None - 0 Mouse 7.7 pEC50 = 7.7 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059868 83263 1 None - 0 Mouse 7.7 pEC50 = 7.7 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
70690618 83263 1 None - 0 Human 7.7 pEC50 = 7.7 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059868 83263 1 None - 0 Human 7.7 pEC50 = 7.7 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70688555 83258 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059863 83258 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
142702918 184063 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 432 6 1 5 5.3 Cc1cc(Cl)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4636352 184063 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 432 6 1 5 5.3 Cc1cc(Cl)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
132991430 158606 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 50 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 50 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3965352 158606 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 50 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 50 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
134139288 153345 0 None - 0 Mouse 5.6 pEC50 = 5.6 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 426 7 2 6 4.1 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(F)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3922897 153345 0 None - 0 Mouse 5.6 pEC50 = 5.6 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 426 7 2 6 4.1 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(F)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
54679507 153641 14 None - 0 Mouse 5.6 pEC50 = 5.6 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 408 7 2 6 3.9 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3925255 153641 14 None - 0 Mouse 5.6 pEC50 = 5.6 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 408 7 2 6 3.9 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
70682196 83264 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059869 83264 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
70682196 83264 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059869 83264 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
67379418 83269 3 None - 0 Human 7.6 pEC50 = 7.6 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 401 6 1 5 5.3 Cc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059873 83269 3 None - 0 Human 7.6 pEC50 = 7.6 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 401 6 1 5 5.3 Cc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70696850 83267 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059871 83267 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
24776445 10769 115 None - 1 Human 8.5 pEC50 = 8.5 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
4227 10769 115 None - 1 Human 8.5 pEC50 = 8.5 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
6975 10769 115 None - 1 Human 8.5 pEC50 = 8.5 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
CHEMBL473417 10769 115 None - 1 Human 8.5 pEC50 = 8.5 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
DB08828 10769 115 None - 1 Human 8.5 pEC50 = 8.5 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
53344810 7344 6 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Binding affinity to mouse SMOBinding affinity to mouse SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
7716 7344 6 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Binding affinity to mouse SMOBinding affinity to mouse SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
CHEMBL4637222 7344 6 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Binding affinity to mouse SMOBinding affinity to mouse SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
141233599 184110 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 448 6 2 4 6.1 Cc1cc(C)c(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4637218 184110 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 448 6 2 4 6.1 Cc1cc(C)c(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156020817 184845 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 440 6 1 5 5.5 Cc1cc(C)c(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4647379 184845 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 440 6 1 5 5.5 Cc1cc(C)c(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
10327 10232 65 None - 1 Mouse 7.5 pEC50 = 7.5 Binding
Agonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factorAgonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factor
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
5284330 10232 65 None - 1 Mouse 7.5 pEC50 = 7.5 Binding
Agonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factorAgonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factor
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
CHEMBL1221983 10232 65 None - 1 Mouse 7.5 pEC50 = 7.5 Binding
Agonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factorAgonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factor
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
141233611 184156 0 None - 0 Mouse 7.5 pEC50 = 7.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cnc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4637915 184156 0 None - 0 Mouse 7.5 pEC50 = 7.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cnc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
68778068 83254 1 None - 0 Human 7.5 pEC50 = 7.5 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 434 6 2 4 5.8 Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059859 83254 1 None - 0 Human 7.5 pEC50 = 7.5 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 434 6 2 4 5.8 Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
67627060 157755 0 None - 0 Mouse 5.5 pEC50 = 5.5 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 464 8 2 6 5.5 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3958271 157755 0 None - 0 Mouse 5.5 pEC50 = 5.5 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 464 8 2 6 5.5 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
54697820 160283 12 None - 0 Mouse 5.5 pEC50 = 5.5 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 406 7 2 6 3.7 C=CCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3979766 160283 12 None - 0 Mouse 5.5 pEC50 = 5.5 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 406 7 2 6 3.7 C=CCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
134141883 153858 0 None - 0 Mouse 6.4 pEC50 = 6.4 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 468 9 2 8 4.0 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3927217 153858 0 None - 0 Mouse 6.4 pEC50 = 6.4 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 468 9 2 8 4.0 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
54679498 149346 9 None - 0 Mouse 5.4 pEC50 = 5.4 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 436 9 2 6 4.7 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3891055 149346 9 None - 0 Mouse 5.4 pEC50 = 5.4 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 436 9 2 6 4.7 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
67379186 83255 1 None - 0 Mouse 7.4 pEC50 = 7.4 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2c[nH]cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059860 83255 1 None - 0 Mouse 7.4 pEC50 = 7.4 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2c[nH]cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
67379186 83255 1 None - 0 Human 7.4 pEC50 = 7.4 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2c[nH]cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059860 83255 1 None - 0 Human 7.4 pEC50 = 7.4 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2c[nH]cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
24776445 10769 115 None - 1 Mouse 8.3 pEC50 = 8.3 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
4227 10769 115 None - 1 Mouse 8.3 pEC50 = 8.3 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
6975 10769 115 None - 1 Mouse 8.3 pEC50 = 8.3 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
CHEMBL473417 10769 115 None - 1 Mouse 8.3 pEC50 = 8.3 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
DB08828 10769 115 None - 1 Mouse 8.3 pEC50 = 8.3 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
70694801 83271 2 None - 0 Human 7.4 pEC50 = 7.4 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059876 83271 2 None - 0 Human 7.4 pEC50 = 7.4 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
132991430 158606 0 None - 0 Mouse 7.3 pEC50 = 7.3 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 100 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 100 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3965352 158606 0 None - 0 Mouse 7.3 pEC50 = 7.3 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 100 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 100 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
134147508 156830 0 None - 0 Mouse 5.3 pEC50 = 5.3 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 442 7 2 6 4.6 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(Cl)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3950627 156830 0 None - 0 Mouse 5.3 pEC50 = 5.3 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 442 7 2 6 4.6 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(Cl)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
69672428 153394 0 None - 0 Mouse 5.2 pEC50 = 5.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 463 11 3 5 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)NCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3923290 153394 0 None - 0 Mouse 5.2 pEC50 = 5.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 463 11 3 5 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)NCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
68780878 83262 0 None - 0 Mouse 8.2 pEC50 = 8.2 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmc.2019.115227
CHEMBL2059867 83262 0 None - 0 Mouse 8.2 pEC50 = 8.2 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmc.2019.115227
25254030 184400 0 None - 0 Mouse 8.2 pEC50 = 8.2 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 432 6 1 5 5.3 Cc1cc(Cl)c(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4641050 184400 0 None - 0 Mouse 8.2 pEC50 = 8.2 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 432 6 1 5 5.3 Cc1cc(Cl)c(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
54683108 149748 14 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 10 2 6 5.1 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3894352 149748 14 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 10 2 6 5.1 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
57331381 159301 0 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 408 8 3 5 4.2 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)O)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3971451 159301 0 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 408 8 3 5 4.2 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)O)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
69673604 150852 0 None - 0 Mouse 5.2 pEC50 = 5.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 9 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3903318 150852 0 None - 0 Mouse 5.2 pEC50 = 5.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 9 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
68780878 83262 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmcl.2012.04.104
CHEMBL2059867 83262 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmcl.2012.04.104
141233616 184546 0 None - 0 Mouse 8.1 pEC50 = 8.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 418 6 2 4 5.3 Cc1cc(Cl)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4642917 184546 0 None - 0 Mouse 8.1 pEC50 = 8.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 418 6 2 4 5.3 Cc1cc(Cl)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
54679533 159185 13 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 436 9 2 6 4.7 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3970506 159185 13 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 436 9 2 6 4.7 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
67375395 82826 1 None - 0 Human 8.1 pEC50 = 8.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 411 6 2 6 4.3 Cc1ccc(-c2ccc(N)nn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2057336 82826 1 None - 0 Human 8.1 pEC50 = 8.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 411 6 2 6 4.3 Cc1ccc(-c2ccc(N)nn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70692760 83266 1 None - 0 Human 8.1 pEC50 = 8.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 426 6 1 5 5.2 Cc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059870 83266 1 None - 0 Human 8.1 pEC50 = 8.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 426 6 1 5 5.2 Cc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
10356 10010 95 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1016/j.ejmech.2016.05.062
5284329 10010 95 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1016/j.ejmech.2016.05.062
CHEMBL1221984 10010 95 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1016/j.ejmech.2016.05.062
54683102 155695 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 8 2 6 4.3 CCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3941789 155695 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 8 2 6 4.3 CCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
54676175 157298 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 406 5 2 6 3.5 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3954578 157298 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 406 5 2 6 3.5 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1 10.1016/j.ejmech.2016.05.062
70684298 83261 3 None - 0 Mouse 7.1 pEC50 = 7.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059866 83261 3 None - 0 Mouse 7.1 pEC50 = 7.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
70684298 83261 3 None - 0 Human 7.1 pEC50 = 7.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059866 83261 3 None - 0 Human 7.1 pEC50 = 7.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
54676600 158662 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 8 2 6 4.3 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3965788 158662 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 8 2 6 4.3 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
25253713 183840 5 None - 0 Human 10.1 pIC50 = 10.1 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4632769 183840 5 None - 0 Human 10.1 pIC50 = 10.1 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
53344810 7344 6 None - 0 Human 9.7 pIC50 = 9.7 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
7716 7344 6 None - 0 Human 9.7 pIC50 = 9.7 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
CHEMBL4637222 7344 6 None - 0 Human 9.7 pIC50 = 9.7 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
24776445 10769 115 None - 1 Human 9.4 pIC50 = 9.4 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
4227 10769 115 None - 1 Human 9.4 pIC50 = 9.4 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
6975 10769 115 None - 1 Human 9.4 pIC50 = 9.4 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
CHEMBL473417 10769 115 None - 1 Human 9.4 pIC50 = 9.4 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
DB08828 10769 115 None - 1 Human 9.4 pIC50 = 9.4 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
46891200 13579 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 422 3 0 4 5.0 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083915 13579 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 422 3 0 4 5.0 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
25226761 21846 0 None - 0 Mouse 9.2 pIC50 = 9.2 Binding
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assayAntagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assay
ChEMBL 477 3 0 5 5.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209455 21846 0 None - 0 Mouse 9.2 pIC50 = 9.2 Binding
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assayAntagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assay
ChEMBL 477 3 0 5 5.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
46891199 14160 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 442 3 0 4 5.3 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1086467 14160 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 442 3 0 4 5.3 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
10333 10515 76 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2022.117051
49848070 10515 76 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2022.117051
CHEMBL2142592 10515 76 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2022.117051
DB12550 10515 76 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2022.117051
44186313 194765 0 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497266 194765 0 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25027363 10249 31 None - 0 Human 8.9 pIC50 = 8.9 Binding
Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamineInhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine
ChEMBL 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 10.1021/jm900305z
8198 10249 31 None - 0 Human 8.9 pIC50 = 8.9 Binding
Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamineInhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine
ChEMBL 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 10.1021/jm900305z
CHEMBL538867 10249 31 None - 0 Human 8.9 pIC50 = 8.9 Binding
Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamineInhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine
ChEMBL 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 10.1021/jm900305z
DB12655 10249 31 None - 0 Human 8.9 pIC50 = 8.9 Binding
Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamineInhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine
ChEMBL 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 10.1021/jm900305z
49840814 88252 0 None - 0 Mouse 8.8 pIC50 = 8.8 Binding
Antagonist activity at mouse Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assayAntagonist activity at mouse Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160067 88252 0 None - 0 Mouse 8.8 pIC50 = 8.8 Binding
Antagonist activity at mouse Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assayAntagonist activity at mouse Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
24797889 185870 0 None - 0 Human 8.0 pIC50 = 8 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 504 6 2 3 7.1 Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 10.1016/j.bmcl.2008.11.096
CHEMBL471672 185870 0 None - 0 Human 8.0 pIC50 = 8 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 504 6 2 3 7.1 Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 10.1016/j.bmcl.2008.11.096
44591268 186934 0 None - 0 Mouse 8.0 pIC50 = 8 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474893 186934 0 None - 0 Mouse 8.0 pIC50 = 8 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56678644 71703 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 491 5 1 8 2.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822465 71703 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 491 5 1 8 2.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56671929 71704 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 489 5 1 7 3.9 O=C(NCC1(N2CCCCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822466 71704 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 489 5 1 7 3.9 O=C(NCC1(N2CCCCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44186376 198149 0 None - 0 Mouse 8.0 pIC50 = 8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
CHEMBL519219 198149 0 None - 0 Mouse 8.0 pIC50 = 8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
8440567 21766 3 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 384 4 0 4 4.3 Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.06.033
CHEMBL1209095 21766 3 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 384 4 0 4 4.3 Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.06.033
122185870 129533 0 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assayInhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604612 129533 0 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assayInhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
46891247 13774 0 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 464 3 0 4 5.9 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084733 13774 0 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 464 3 0 4 5.9 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
89736080 138986 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 456 6 2 6 2.9 Cc1cc(F)cnc1-c1cc(N2CCC(NS(=O)(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3696810 138986 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 456 6 2 6 2.9 Cc1cc(F)cnc1-c1cc(N2CCC(NS(=O)(=O)CC(C)(C)O)CC2)ncc1Cl nan
46891045 13514 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 412 3 0 4 4.4 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1083739 13514 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 412 3 0 4 4.4 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
56682216 71662 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 490 5 1 7 3.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822294 71662 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 490 5 1 7 3.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56669675 71171 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813102 71171 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
59191590 149382 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 8 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCCO)cn3)[C@H](C)C2)c1C nan
CHEMBL3891390 149382 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 8 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCCO)cn3)[C@H](C)C2)c1C nan
59191583 149393 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3891481 149393 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
59191578 149795 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
CHEMBL3894764 149795 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
59191562 150148 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3897743 150148 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191512 151148 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3905798 151148 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
67177357 151261 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
CHEMBL3906764 151261 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
59191632 151573 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
CHEMBL3909290 151573 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
59191644 151976 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 457 6 1 7 3.1 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3912445 151976 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 457 6 1 7 3.1 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CC4)cn3)[C@H](C)C2)c1C nan
59191542 152329 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3915100 152329 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
59191456 152920 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 515 5 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@H](C)O[C@H](C)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3919707 152920 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 515 5 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@H](C)O[C@H](C)C4)cn3)[C@H](C)C2)c1C nan
59191634 153816 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 7 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3926840 153816 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 7 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C nan
59191585 153879 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3927351 153879 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191554 153908 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3927593 153908 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
59191591 154144 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3929514 154144 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
59191586 154216 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3930063 154216 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191540 154299 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 458 4 0 4 5.7 CC(C)(C)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)cc1 nan
CHEMBL3930632 154299 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 458 4 0 4 5.7 CC(C)(C)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)cc1 nan
59191556 154808 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 7 1 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)[C@H](C)C2)c1C nan
CHEMBL3934557 154808 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 7 1 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)[C@H](C)C2)c1C nan
59191642 155704 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3941852 155704 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
59191563 156584 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3948598 156584 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191526 156609 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
CHEMBL3948829 156609 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
59191541 156659 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3949191 156659 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191633 157130 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 446 5 1 8 3.1 Cc1c(C(=O)c2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3953149 157130 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 446 5 1 8 3.1 Cc1c(C(=O)c2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
59191577 157401 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
CHEMBL3955346 157401 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
59191654 157630 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3957159 157630 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191513 157643 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3957247 157643 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191494 157729 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3958040 157729 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
67177962 157749 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3958236 157749 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
59191573 157922 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3959511 157922 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191471 157976 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3959845 157976 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191530 158627 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
CHEMBL3965473 158627 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
59191489 158628 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3965479 158628 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
59191557 158664 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3965793 158664 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
70928939 158686 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3966039 158686 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191610 158805 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
CHEMBL3967092 158805 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
59191595 159243 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3971008 159243 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
59191520 159556 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
CHEMBL3973612 159556 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
59191495 160019 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3977460 160019 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
59191558 160113 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
CHEMBL3978301 160113 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
67177399 160294 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 415 5 1 4 3.7 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)NCc3ccccc3)CC2)c1C nan
CHEMBL3979837 160294 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 415 5 1 4 3.7 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)NCc3ccccc3)CC2)c1C nan
59191476 160417 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
CHEMBL3980924 160417 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
67176553 160571 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 401 4 1 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C nan
CHEMBL3982279 160571 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 401 4 1 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C nan
67177523 161044 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3986419 161044 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191486 161060 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3986486 161060 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
59191583 149393 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3891481 149393 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
68553986 149541 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3892588 149541 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191578 149795 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
CHEMBL3894764 149795 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
59191517 149936 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccn4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3895940 149936 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccn4)c(C)c3C)C[C@H]2C)cn1 nan
59191512 151148 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3905798 151148 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
59191632 151573 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
CHEMBL3909290 151573 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
59191542 152329 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3915100 152329 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
59191585 153879 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3927351 153879 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191554 153908 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3927593 153908 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
59191591 154144 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3929514 154144 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
59191586 154216 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3930063 154216 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191540 154299 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 458 4 0 4 5.7 CC(C)(C)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)cc1 nan
CHEMBL3930632 154299 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 458 4 0 4 5.7 CC(C)(C)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)cc1 nan
59191604 155402 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 597 4 0 9 4.3 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCC5(CC4)OCCO5)cn3)[C@H](C)C2)c1C nan
CHEMBL3939322 155402 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 597 4 0 9 4.3 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCC5(CC4)OCCO5)cn3)[C@H](C)C2)c1C nan
59191642 155704 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3941852 155704 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
59191563 156584 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3948598 156584 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191526 156609 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
CHEMBL3948829 156609 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
59191541 156659 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3949191 156659 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191577 157401 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
CHEMBL3955346 157401 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
59191513 157643 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3957247 157643 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191494 157729 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3958040 157729 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
67177962 157749 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3958236 157749 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
59191573 157922 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3959511 157922 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191471 157976 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3959845 157976 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191489 158628 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3965479 158628 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
59191557 158664 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3965793 158664 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
70928939 158686 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3966039 158686 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191610 158805 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
CHEMBL3967092 158805 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
59191641 159102 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3969729 159102 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191595 159243 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3971008 159243 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
59191495 160019 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3977460 160019 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
59191558 160113 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
CHEMBL3978301 160113 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
59191476 160417 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
CHEMBL3980924 160417 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
67177523 161044 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3986419 161044 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191486 161060 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3986486 161060 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
45268412 203020 0 None - 0 Human 7.0 pIC50 = 7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(OC)c2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL561735 203020 0 None - 0 Human 7.0 pIC50 = 7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(OC)c2)c1 10.1016/j.bmcl.2009.05.112
122185879 129539 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 433 5 2 6 5.6 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(C#N)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604621 129539 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 433 5 2 6 5.6 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(C#N)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
68551933 149191 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
CHEMBL3889851 149191 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
68553986 149541 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3892588 149541 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
67179540 150009 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
CHEMBL3896503 150009 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
59191507 150235 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 556 7 0 8 5.5 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3898393 150235 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 556 7 0 8 5.5 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
67178105 150899 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 446 5 0 9 2.6 COC(=O)c1cnc(N2CCN(c3nnc(C(=O)c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3903694 150899 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 446 5 0 9 2.6 COC(=O)c1cnc(N2CCN(c3nnc(C(=O)c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191503 151154 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccncc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3905821 151154 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccncc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191596 151196 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
CHEMBL3906243 151196 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
67177357 151261 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
CHEMBL3906764 151261 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
59191632 151573 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
CHEMBL3909290 151573 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
59191643 153404 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 544 8 0 9 4.9 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cncc(OC)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3923355 153404 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 544 8 0 9 4.9 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cncc(OC)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191585 153879 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3927351 153879 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191638 154704 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 6 0 7 4.0 CCOC(=O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)nc1 nan
CHEMBL3933708 154704 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 6 0 7 4.0 CCOC(=O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)nc1 nan
59191567 154744 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
CHEMBL3934007 154744 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
59191629 155284 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3938334 155284 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191624 155307 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
CHEMBL3938550 155307 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
59191642 155704 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3941852 155704 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
59191504 156043 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@@H]2C)cn1 nan
CHEMBL3944445 156043 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@@H]2C)cn1 nan
59191526 156609 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
CHEMBL3948829 156609 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
59191541 156659 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3949191 156659 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191496 156842 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 9 3.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)CC2)nc1C(F)(F)F nan
CHEMBL3950710 156842 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 9 3.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)CC2)nc1C(F)(F)F nan
59191501 156961 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
CHEMBL3951798 156961 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
59191527 157161 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 506 4 0 8 4.3 COC(=O)c1cnc(N2CCN(c3nnc(-c4cccc(Cl)c4)c(C)c3C)CC2)nc1C(F)(F)F nan
CHEMBL3953389 157161 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 506 4 0 8 4.3 COC(=O)c1cnc(N2CCN(c3nnc(-c4cccc(Cl)c4)c(C)c3C)CC2)nc1C(F)(F)F nan
59191577 157401 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
CHEMBL3955346 157401 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
59191654 157630 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3957159 157630 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
67177962 157749 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3958236 157749 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
59191573 157922 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3959511 157922 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191471 157976 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3959845 157976 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191530 158627 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
CHEMBL3965473 158627 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
59191489 158628 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3965479 158628 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
59191529 158815 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
CHEMBL3967151 158815 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
59191595 159243 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3971008 159243 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
59191520 159556 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
CHEMBL3973612 159556 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
59191575 160689 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 512 5 0 8 3.9 COC(=O)c1ncc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3983242 160689 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 512 5 0 8 3.9 COC(=O)c1ncc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
67177523 161044 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3986419 161044 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191486 161060 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3986486 161060 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
59191560 149160 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 589 7 0 7 5.6 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCc4ccccc4)cn3)[C@H](C)C2)c1C nan
CHEMBL3889599 149160 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 589 7 0 7 5.6 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCc4ccccc4)cn3)[C@H](C)C2)c1C nan
59191590 149382 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 8 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCCO)cn3)[C@H](C)C2)c1C nan
CHEMBL3891390 149382 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 8 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCCO)cn3)[C@H](C)C2)c1C nan
59191583 149393 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3891481 149393 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
59191578 149795 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
CHEMBL3894764 149795 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
59191467 150345 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 439 4 0 5 4.3 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)CC2)nc1 nan
CHEMBL3899187 150345 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 439 4 0 5 4.3 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)CC2)nc1 nan
59191587 150755 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 496 5 0 7 4.3 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3902706 150755 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 496 5 0 7 4.3 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
70929068 150830 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 7 1 8 3.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)N(C)CCO)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3903125 150830 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 7 1 8 3.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)N(C)CCO)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
67178105 150899 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 446 5 0 9 2.6 COC(=O)c1cnc(N2CCN(c3nnc(C(=O)c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3903694 150899 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 446 5 0 9 2.6 COC(=O)c1cnc(N2CCN(c3nnc(C(=O)c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191635 151225 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 2 8 3.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3906492 151225 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 2 8 3.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
59191576 151666 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 4 0 5 4.6 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c(F)c1 nan
CHEMBL3910022 151666 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 4 0 5 4.6 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c(F)c1 nan
59191548 151887 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 6 4.1 Cc1c(Cc2ccccc2)nnc(C2CCN(c3cnc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3911804 151887 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 6 4.1 Cc1c(Cc2ccccc2)nnc(C2CCN(c3cnc(C(C)(C)O)cn3)CC2)c1C nan
59191644 151976 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 6 1 7 3.1 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3912445 151976 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 6 1 7 3.1 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CC4)cn3)[C@H](C)C2)c1C nan
59191542 152329 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3915100 152329 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
59191615 152406 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 523 4 0 7 5.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3915663 152406 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 523 4 0 7 5.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191456 152920 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 515 5 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@H](C)O[C@H](C)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3919707 152920 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 515 5 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@H](C)O[C@H](C)C4)cn3)[C@H](C)C2)c1C nan
59191545 153184 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 514 6 0 8 4.4 CCOC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3921763 153184 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 514 6 0 8 4.4 CCOC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
59191515 153280 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 430 6 0 7 3.8 CC[C@@H]1CN(c2nnc(Cc3ccccc3)c(C)c2C)CCN1c1cnc(C(C)=O)cn1 nan
CHEMBL3922446 153280 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 430 6 0 7 3.8 CC[C@@H]1CN(c2nnc(Cc3ccccc3)c(C)c2C)CCN1c1cnc(C(C)=O)cn1 nan
59191465 153299 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 489 7 2 8 2.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC(C)(C)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3922623 153299 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 489 7 2 8 2.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC(C)(C)CO)cn3)[C@H](C)C2)c1C nan
59191643 153404 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 544 8 0 9 4.9 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cncc(OC)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3923355 153404 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 544 8 0 9 4.9 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cncc(OC)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
45107175 153631 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 416 5 0 7 3.4 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3925179 153631 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 416 5 0 7 3.4 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191634 153816 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 7 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3926840 153816 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 7 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C nan
68550391 153842 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 536 5 1 7 4.7 Cc1c(Cc2ccc(F)cc2F)nnc(N2CCN(c3ncc(C(C)(C)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3927084 153842 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 536 5 1 7 4.7 Cc1c(Cc2ccc(F)cc2F)nnc(N2CCN(c3ncc(C(C)(C)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
59191585 153879 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3927351 153879 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191554 153908 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3927593 153908 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
59191591 154144 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3929514 154144 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
59191586 154216 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3930063 154216 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191533 154408 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3931348 154408 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)O)cn3)[C@H](C)C2)c1C nan
59191535 154747 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 6 1 8 2.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3934045 154747 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 6 1 8 2.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)CO)cn3)[C@H](C)C2)c1C nan
59191556 154808 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 7 1 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)[C@H](C)C2)c1C nan
CHEMBL3934557 154808 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 7 1 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)[C@H](C)C2)c1C nan
59191508 155145 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 7 1 7 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)C)cn3)[C@H](C)C2)c1C nan
CHEMBL3937323 155145 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 7 1 7 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)C)cn3)[C@H](C)C2)c1C nan
59191604 155402 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 597 4 0 9 4.3 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCC5(CC4)OCCO5)cn3)[C@H](C)C2)c1C nan
CHEMBL3939322 155402 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 597 4 0 9 4.3 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCC5(CC4)OCCO5)cn3)[C@H](C)C2)c1C nan
59191543 155771 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 445 4 0 5 4.6 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3942299 155771 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 445 4 0 5 4.6 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191472 155822 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 431 3 0 5 4.6 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3942727 155822 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 431 3 0 5 4.6 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
45100666 156016 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 8 2.8 Cc1c(Cc2ccccn2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3944267 156016 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 8 2.8 Cc1c(Cc2ccccn2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
59191547 156102 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)cc1 nan
CHEMBL3944996 156102 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)cc1 nan
67179023 156279 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 504 5 0 6 4.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@H](C)C2)c1C nan
CHEMBL3946402 156279 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 504 5 0 6 4.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@H](C)C2)c1C nan
59191563 156584 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3948598 156584 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191526 156609 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
CHEMBL3948829 156609 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
59191477 156837 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 499 6 1 7 3.5 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(F)(F)F)cn3)[C@H](C)C2)c1C nan
CHEMBL3950687 156837 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 499 6 1 7 3.5 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(F)(F)F)cn3)[C@H](C)C2)c1C nan
59191496 156842 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 9 3.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)CC2)nc1C(F)(F)F nan
CHEMBL3950710 156842 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 9 3.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)CC2)nc1C(F)(F)F nan
59191479 157030 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 484 5 0 7 4.4 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3952417 157030 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 484 5 0 7 4.4 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
59191649 157355 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 7 4.6 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccc(F)cc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3955058 157355 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 7 4.6 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccc(F)cc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
59191577 157401 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
CHEMBL3955346 157401 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
59191654 157630 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3957159 157630 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191513 157643 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3957247 157643 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191494 157729 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3958040 157729 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191471 157976 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3959845 157976 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191528 158216 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 4 5.4 Cc1c(Cc2ccccc2)nnc(N2CCC(F)(c3ccc(C(C)(C)O)cc3)CC2)c1C nan
CHEMBL3961874 158216 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 4 5.4 Cc1c(Cc2ccccc2)nnc(N2CCC(F)(c3ccc(C(C)(C)O)cc3)CC2)c1C nan
59191536 158748 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 489 8 1 8 2.6 CCN(CCO)C(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3966631 158748 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 489 8 1 8 2.6 CCN(CCO)C(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191610 158805 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
CHEMBL3967092 158805 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
59191608 158809 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 447 3 0 5 5.2 Cc1c(-c2cccc(Cl)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3967114 158809 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 447 3 0 5 5.2 Cc1c(-c2cccc(Cl)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191561 159344 19 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3971766 159344 19 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191520 159556 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
CHEMBL3973612 159556 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
59191469 159684 1 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 1 8 4.1 COc1ccc(-c2nnc(N3CCN(c4ncc(C(C)(C)O)c(C(F)(F)F)n4)CC3)c(C)c2C)cc1 nan
CHEMBL3974732 159684 1 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 1 8 4.1 COc1ccc(-c2nnc(N3CCN(c4ncc(C(C)(C)O)c(C(F)(F)F)n4)CC3)c(C)c2C)cc1 nan
59191558 160113 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
CHEMBL3978301 160113 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
67177399 160294 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 5 1 4 3.7 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)NCc3ccccc3)CC2)c1C nan
CHEMBL3979837 160294 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 5 1 4 3.7 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)NCc3ccccc3)CC2)c1C nan
59191476 160417 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
CHEMBL3980924 160417 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
67176553 160571 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 401 4 1 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C nan
CHEMBL3982279 160571 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 401 4 1 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C nan
59191575 160689 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 512 5 0 8 3.9 COC(=O)c1ncc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3983242 160689 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 512 5 0 8 3.9 COC(=O)c1ncc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
59191470 160762 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 518 5 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccc(F)cc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3983876 160762 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 518 5 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccc(F)cc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
59191486 161060 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3986486 161060 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
59191622 161068 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 487 5 0 8 2.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCOCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3986550 161068 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 487 5 0 8 2.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCOCC4)cn3)[C@H](C)C2)c1C nan
89751034 138958 0 None - 0 Human 7.0 pIC50 = 7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 392 4 1 5 2.8 Cc1cccnc1-c1cc(N2[C@H]3CC[C@@H]2C[C@@H]3NS(C)(=O)=O)ncc1Cl nan
CHEMBL3696782 138958 0 None - 0 Human 7.0 pIC50 = 7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 392 4 1 5 2.8 Cc1cccnc1-c1cc(N2[C@H]3CC[C@@H]2C[C@@H]3NS(C)(=O)=O)ncc1Cl nan
56662004 71838 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 451 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(F)(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823590 71838 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 451 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(F)(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56668924 71846 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 436 3 1 6 4.7 Cn1c(-c2noc(C3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823616 71846 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 436 3 1 6 4.7 Cn1c(-c2noc(C3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
44629066 71847 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 418 4 0 5 5.4 O=C(CC1CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823617 71847 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 418 4 0 5 5.4 O=C(CC1CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56670006 70898 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 480 4 0 3 4.4 CN(C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2011.06.024
CHEMBL1808285 70898 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 480 4 0 3 4.4 CN(C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2011.06.024
68551933 149191 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
CHEMBL3889851 149191 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
68553986 149541 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3892588 149541 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
67179540 150009 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
CHEMBL3896503 150009 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
59191596 151196 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
CHEMBL3906243 151196 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
67176532 151664 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3910002 151664 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
59191637 152413 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
CHEMBL3915704 152413 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
59191639 152878 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3919359 152878 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191567 154744 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
CHEMBL3934007 154744 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
59191629 155284 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3938334 155284 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191624 155307 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
CHEMBL3938550 155307 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
59191501 156961 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
CHEMBL3951798 156961 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
70918868 157432 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3955601 157432 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
68571886 158099 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3960935 158099 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191529 158815 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
CHEMBL3967151 158815 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
59191641 159102 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3969729 159102 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
68551933 149191 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
CHEMBL3889851 149191 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
67179540 150009 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
CHEMBL3896503 150009 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
59191562 150148 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3897743 150148 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191596 151196 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
CHEMBL3906243 151196 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
67176532 151664 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3910002 151664 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
59191637 152413 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
CHEMBL3915704 152413 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
59191639 152878 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3919359 152878 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191567 154744 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
CHEMBL3934007 154744 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
59191629 155284 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3938334 155284 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191624 155307 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
CHEMBL3938550 155307 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
59191501 156961 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
CHEMBL3951798 156961 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
70918868 157432 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3955601 157432 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
68571886 158099 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3960935 158099 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191529 158815 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
CHEMBL3967151 158815 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
134133070 151575 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 482 5 1 3 7.5 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1cccc(-c3ccc(OC(F)(F)F)cc3)c1C)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3909304 151575 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 482 5 1 3 7.5 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1cccc(-c3ccc(OC(F)(F)F)cc3)c1C)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
59191562 150148 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3897743 150148 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
67176532 151664 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3910002 151664 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
59191637 152413 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
CHEMBL3915704 152413 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
59191639 152878 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3919359 152878 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
70918868 157432 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3955601 157432 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
68571886 158099 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3960935 158099 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
70928939 158686 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3966039 158686 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
70975738 158870 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 4 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(F)(F)F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3967640 158870 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 4 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(F)(F)F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191641 159102 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3969729 159102 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
67179891 159161 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 436 4 0 8 3.2 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3970317 159161 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 436 4 0 8 3.2 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191500 159526 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 448 5 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3973278 159526 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 448 5 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191495 160019 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3977460 160019 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
59191579 160541 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 470 4 0 8 3.8 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3981990 160541 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 470 4 0 8 3.8 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1 nan
68551933 149191 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
CHEMBL3889851 149191 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
68553986 149541 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3892588 149541 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191517 149936 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccn4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3895940 149936 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccn4)c(C)c3C)C[C@H]2C)cn1 nan
67179540 150009 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
CHEMBL3896503 150009 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
59191562 150148 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3897743 150148 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191507 150235 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 556 7 0 8 5.5 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3898393 150235 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 556 7 0 8 5.5 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191512 151148 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3905798 151148 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
59191503 151154 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccncc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3905821 151154 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccncc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191596 151196 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
CHEMBL3906243 151196 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
67177357 151261 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
CHEMBL3906764 151261 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
59191632 151573 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
CHEMBL3909290 151573 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
67176532 151664 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3910002 151664 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
59191637 152413 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
CHEMBL3915704 152413 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
59191490 152507 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 413 3 0 5 4.5 Cc1c(-c2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3916441 152507 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 413 3 0 5 4.5 Cc1c(-c2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191639 152878 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3919359 152878 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191623 152991 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 444 5 0 8 2.8 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)cn1 nan
CHEMBL3920191 152991 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 444 5 0 8 2.8 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)cn1 nan
59191638 154704 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 6 0 7 4.0 CCOC(=O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)nc1 nan
CHEMBL3933708 154704 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 6 0 7 4.0 CCOC(=O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)nc1 nan
59191567 154744 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
CHEMBL3934007 154744 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
59191629 155284 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3938334 155284 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191624 155307 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
CHEMBL3938550 155307 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
59191642 155704 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3941852 155704 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
59191504 156043 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@@H]2C)cn1 nan
CHEMBL3944445 156043 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@@H]2C)cn1 nan
59191541 156659 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3949191 156659 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191501 156961 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
CHEMBL3951798 156961 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
59191527 157161 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 506 4 0 8 4.3 COC(=O)c1cnc(N2CCN(c3nnc(-c4cccc(Cl)c4)c(C)c3C)CC2)nc1C(F)(F)F nan
CHEMBL3953389 157161 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 506 4 0 8 4.3 COC(=O)c1cnc(N2CCN(c3nnc(-c4cccc(Cl)c4)c(C)c3C)CC2)nc1C(F)(F)F nan
70918868 157432 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3955601 157432 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
67177962 157749 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3958236 157749 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
59191573 157922 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3959511 157922 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
68571886 158099 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3960935 158099 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191530 158627 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
CHEMBL3965473 158627 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
59191489 158628 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3965479 158628 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
59191557 158664 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3965793 158664 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
70928939 158686 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3966039 158686 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191529 158815 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
CHEMBL3967151 158815 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
70975738 158870 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 4 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(F)(F)F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3967640 158870 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 4 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(F)(F)F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191641 159102 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3969729 159102 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
67179891 159161 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 436 4 0 8 3.2 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3970317 159161 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 436 4 0 8 3.2 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191595 159243 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3971008 159243 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
59191500 159526 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 448 5 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3973278 159526 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 448 5 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191495 160019 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3977460 160019 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
59191579 160541 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 470 4 0 8 3.8 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3981990 160541 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 470 4 0 8 3.8 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1 nan
67177523 161044 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3986419 161044 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
45271780 202015 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 351 4 1 3 4.4 O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCCC1 10.1016/j.bmcl.2009.05.112
CHEMBL550928 202015 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 351 4 1 3 4.4 O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCCC1 10.1016/j.bmcl.2009.05.112
45272649 203161 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 345 4 1 3 4.1 O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1 10.1016/j.bmcl.2009.05.112
CHEMBL562650 203161 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 345 4 1 3 4.1 O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1 10.1016/j.bmcl.2009.05.112
45268389 203216 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 311 4 1 3 3.4 CC(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL563007 203216 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 311 4 1 3 3.4 CC(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
45272645 203333 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 325 3 1 3 3.8 CC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL563781 203333 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 325 3 1 3 3.8 CC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
89736171 138930 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 7 1 6 3.0 Cc1cccnc1-c1cc(N2CCC(CNCCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696755 138930 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 7 1 6 3.0 Cc1cccnc1-c1cc(N2CCC(CNCCS(C)(=O)=O)CC2)ncc1Cl nan
44186429 194683 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496603 194683 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
57539117 82292 1 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 349 3 3 3 3.5 CN1CC[C@@H](NC(=O)Nc2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043429 82292 1 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 349 3 3 3 3.5 CN1CC[C@@H](NC(=O)Nc2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
44186310 194570 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495876 194570 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49862197 21768 12 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 362 5 0 5 3.5 COc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209099 21768 12 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 362 5 0 5 3.5 COc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
89736342 138374 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 490 5 1 6 4.8 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCC(Nc4ccccn4)CC3)CC2)ncc1Cl nan
CHEMBL3692761 138374 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 490 5 1 6 4.8 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCC(Nc4ccccn4)CC3)CC2)ncc1Cl nan
44464620 81560 1 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031273 81560 1 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
89736335 138345 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 6 1 5 3.2 COCCC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692732 138345 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 6 1 5 3.2 COCCC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
67508981 138357 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 0 5 3.4 CCOC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692744 138357 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 0 5 3.4 CCOC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
6404568 194602 12 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496013 194602 12 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
46890990 14068 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1086048 14068 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
89736149 138952 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 4 1 5 2.9 Cc1cnc(-c2cc(N3CCC(CS(N)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696776 138952 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 4 1 5 2.9 Cc1cnc(-c2cc(N3CCC(CS(N)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
67508475 138985 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 442 5 1 6 2.5 Cc1cc(F)cnc1-c1cc(N2CCN(S(=O)(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3696809 138985 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 442 5 1 6 2.5 Cc1cc(F)cnc1-c1cc(N2CCN(S(=O)(=O)CC(C)(C)O)CC2)ncc1Cl nan
69044619 138961 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 1 5 3.5 Cc1cnc(-c2cc(N3CCC(NS(=O)(=O)C4CC4)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696785 138961 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 1 5 3.5 Cc1cnc(-c2cc(N3CCC(NS(=O)(=O)C4CC4)CC3)ncc2Cl)c(C)c1 nan
89736236 138955 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 1 5 3.3 CCS(=O)(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
CHEMBL3696779 138955 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 1 5 3.3 CCS(=O)(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
56967595 138974 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 5 0 6 1.8 Cc1cnc(-c2ccnc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)c2)c(C)c1 nan
CHEMBL3696798 138974 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 5 0 6 1.8 Cc1cnc(-c2ccnc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)c2)c(C)c1 nan
46891197 13474 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 426 3 0 4 4.8 C[C@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083605 13474 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 426 3 0 4 4.8 C[C@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
9892231 186403 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474281 186403 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56668414 71687 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 506 5 1 6 4.9 O=C(NCC1(N2CCC(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822449 71687 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 506 5 1 6 4.9 O=C(NCC1(N2CCC(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56662174 71854 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 430 4 0 7 4.7 COc1ccccc1OC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823821 71854 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 430 4 0 7 4.7 COc1ccccc1OC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
46891106 13270 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3ccccn3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1082713 13270 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3ccccn3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
137521201 176635 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 571 7 3 7 5.0 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)NN)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4440172 176635 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 571 7 3 7 5.0 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)NN)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
67515004 138331 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 434 4 1 5 3.3 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(C(F)(F)F)cn3)c(Cl)cn2)CC1 nan
CHEMBL3692718 138331 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 434 4 1 5 3.3 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(C(F)(F)F)cn3)c(Cl)cn2)CC1 nan
67509229 138340 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 3 0 5 2.2 Cc1cccnc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692727 138340 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 3 0 5 2.2 Cc1cccnc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl nan
69044577 138964 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 5 2 5 2.3 O=C(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696788 138964 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 5 2 5 2.3 O=C(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56672402 71844 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3cnc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823612 71844 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3cnc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44628287 71866 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1cnccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823836 71866 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1cnccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56659676 70895 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 442 3 1 3 3.5 O=C(Nc1ccc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808282 70895 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 442 3 1 3 3.5 O=C(Nc1ccc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56663078 70937 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 482 4 1 5 3.2 COC(=O)c1cccc(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1Cl 10.1016/j.bmcl.2011.06.024
CHEMBL1808449 70937 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 482 4 1 5 3.2 COC(=O)c1cccc(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1Cl 10.1016/j.bmcl.2011.06.024
44395101 134315 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 480 8 2 5 5.5 Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL366255 134315 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 480 8 2 5 5.5 Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
56675801 71885 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 408 3 1 6 3.8 Cn1c(-c2noc(C3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823861 71885 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 408 3 1 6 3.8 Cn1c(-c2noc(C3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
71460279 87594 0 None - 0 Mouse 5.0 pIC50 = 5.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.5 C[C@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)O[C@@H]1c1ccccc1 10.1021/ml300172p
CHEMBL2152355 87594 0 None - 0 Mouse 5.0 pIC50 = 5.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.5 C[C@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)O[C@@H]1c1ccccc1 10.1021/ml300172p
71460282 87602 0 None - 0 Mouse 5.0 pIC50 = 5.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 484 5 1 4 5.1 C[C@H]1[C@@H](c2ccccc2)OC(=O)CCCCC[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C 10.1021/ml300172p
CHEMBL2152365 87602 0 None - 0 Mouse 5.0 pIC50 = 5.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 484 5 1 4 5.1 C[C@H]1[C@@H](c2ccccc2)OC(=O)CCCCC[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C 10.1021/ml300172p
67509168 138924 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 1 5 2.6 CC(C)(O)CC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696749 138924 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 1 5 2.6 CC(C)(O)CC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
25066518 194794 2 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497534 194794 2 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186429 194683 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496603 194683 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25065681 199455 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521900 199455 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736113 138920 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 444 4 2 6 2.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCCC(O)C3CO)CC2)ncc1Cl nan
CHEMBL3696745 138920 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 444 4 2 6 2.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCCC(O)C3CO)CC2)ncc1Cl nan
69047965 138934 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 344 2 0 4 3.1 CC(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
CHEMBL3696759 138934 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 344 2 0 4 3.1 CC(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
89736114 138968 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 379 3 0 5 3.4 Cc1cnc(-c2cc(N3CCC(S(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696792 138968 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 379 3 0 5 3.4 Cc1cnc(-c2cc(N3CCC(S(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
44591292 196448 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 419 6 2 3 5.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2008.11.096
CHEMBL515245 196448 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 419 6 2 3 5.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2008.11.096
25211677 186933 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474892 186933 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56683158 71174 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813105 71174 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56683158 71174 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813105 71174 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56663265 70799 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807222 70799 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
70692760 83266 1 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 426 6 1 5 5.2 Cc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059870 83266 1 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 426 6 1 5 5.2 Cc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
68039838 138989 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 423 4 0 6 2.5 Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4C[C@H](C)O[C@H](C)C4)CC3)c2)c(C)c1 nan
CHEMBL3696813 138989 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 423 4 0 6 2.5 Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4C[C@H](C)O[C@H](C)C4)CC3)c2)c(C)c1 nan
89736532 138976 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 4 1 5 2.3 Cc1cnc(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)c2)c(C)c1 nan
CHEMBL3696800 138976 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 4 1 5 2.3 Cc1cnc(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)c2)c(C)c1 nan
69044585 138932 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 393 4 0 5 3.7 Cc1cnc(-c2cc(N3CCC(CS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696757 138932 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 393 4 0 5 3.7 Cc1cnc(-c2cc(N3CCC(CS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
10951208 41389 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL142972 41389 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
24798071 185895 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 530 7 2 3 7.2 COc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL471881 185895 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 530 7 2 3 7.2 COc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
24797888 186610 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2scnc2C)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474508 186610 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2scnc2C)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56666261 71172 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813103 71172 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
45270944 202030 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 377 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1 10.1016/j.bmcl.2009.05.112
CHEMBL551065 202030 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 377 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1 10.1016/j.bmcl.2009.05.112
50990924 61730 41 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 476 5 2 6 4.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL1615189 61730 41 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 476 5 2 6 4.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
67509495 138387 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 464 4 2 7 1.6 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ncc1Cl nan
CHEMBL3692773 138387 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 464 4 2 7 1.6 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ncc1Cl nan
10328 8068 66 None - 1 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
442972 8068 66 None - 1 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
CHEMBL254129 8068 66 None - 1 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
56673182 71182 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813112 71182 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
44628450 71873 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823844 71873 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
45271790 202671 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 383 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(Cl)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL559001 202671 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 383 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(Cl)cc2)c1 10.1016/j.bmcl.2009.05.112
45270098 204116 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 325 6 1 3 4.0 CCCCC(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL568916 204116 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 325 6 1 3 4.0 CCCCC(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
90656297 117799 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 466 3 1 7 3.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCC(O)CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262637 117799 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 466 3 1 7 3.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCC(O)CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
147359459 184638 3 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 503 5 1 5 4.7 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
CHEMBL4644288 184638 3 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 503 5 1 5 4.7 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
25065893 199728 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL522241 199728 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49862238 21780 16 None - 2 Human 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 367 6 0 5 3.6 COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 10.1016/j.bmcl.2010.06.033
CHEMBL1209158 21780 16 None - 2 Human 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 367 6 0 5 3.6 COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 10.1016/j.bmcl.2010.06.033
89736100 138947 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 0 6 2.6 Cc1cnc(-c2cc(N3CCN(CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696771 138947 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 0 6 2.6 Cc1cnc(-c2cc(N3CCN(CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
18526613 194603 4 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496014 194603 4 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
89736420 138360 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 416 5 1 5 4.0 Cc1cccnc1-c1cc(N2CCC(OCC(=O)NC(C)(C)C)CC2)ncc1Cl nan
CHEMBL3692747 138360 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 416 5 1 5 4.0 Cc1cccnc1-c1cc(N2CCC(OCC(=O)NC(C)(C)C)CC2)ncc1Cl nan
49862197 21768 12 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 362 5 0 5 3.5 COc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209099 21768 12 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 362 5 0 5 3.5 COc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
67509172 138362 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 358 3 0 4 3.4 Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)C)CC2)ncc1Cl nan
CHEMBL3692749 138362 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 358 3 0 4 3.4 Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)C)CC2)ncc1Cl nan
53387030 71706 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822468 71706 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
53387030 71706 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822468 71706 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
53361076 71184 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813114 71184 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
53387030 71706 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1822468 71706 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
53363477 70808 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807231 70808 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
6405276 13364 11 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 384 3 0 5 3.9 O=C(c1ccco1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1083103 13364 11 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 384 3 0 5 3.9 O=C(c1ccco1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
46890935 14127 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1086284 14127 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
24776445 10769 115 None - 1 Human 7.9 pIC50 = 7.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115354
4227 10769 115 None - 1 Human 7.9 pIC50 = 7.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115354
6975 10769 115 None - 1 Human 7.9 pIC50 = 7.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115354
CHEMBL473417 10769 115 None - 1 Human 7.9 pIC50 = 7.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115354
DB08828 10769 115 None - 1 Human 7.9 pIC50 = 7.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115354
44591347 186425 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 486 5 2 2 7.5 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](Nc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474302 186425 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 486 5 2 2 7.5 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](Nc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56676768 70942 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 542 4 1 4 4.9 O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808454 70942 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 542 4 1 4 4.9 O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
45270116 201919 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 380 9 1 5 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)nc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL550190 201919 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 380 9 1 5 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)nc2)c1 10.1016/j.bmcl.2009.05.112
45267515 202906 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL561069 202906 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
44628620 71864 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 450 3 1 6 5.2 O=C(Nc1cccc2cccnc12)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823834 71864 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 450 3 1 6 5.2 O=C(Nc1cccc2cccnc12)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
45271789 202155 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 382 7 0 3 4.8 CCCN(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL551932 202155 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 382 7 0 3 4.8 CCCN(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
90299621 117457 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 410 4 1 6 3.4 CCNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3259848 117457 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 410 4 1 6 3.4 CCNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
56672547 71881 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 448 3 1 6 3.2 CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823857 71881 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 448 3 1 6 3.2 CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
56668540 71666 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 462 5 2 6 3.6 CC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822298 71666 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 462 5 2 6 3.6 CC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
89736288 138359 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 416 7 0 5 4.0 CCN(CC)C(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692746 138359 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 416 7 0 5 4.0 CCN(CC)C(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
69046662 138926 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 0 6 2.5 CS(=O)(=O)CC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696751 138926 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 0 6 2.5 CS(=O)(=O)CC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 nan
25066520 199387 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521558 199387 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
156016449 184452 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 485 5 1 5 4.6 CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
CHEMBL4641704 184452 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 485 5 1 5 4.6 CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
25066520 199387 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521558 199387 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736184 138921 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 6 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3c[nH]cn3)CC2)ncc1Cl nan
CHEMBL3696746 138921 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 6 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3c[nH]cn3)CC2)ncc1Cl nan
127048734 147604 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 505 3 0 6 4.9 CN1CCN(C(=O)c2cc3c(s2)CCN(c2ccc(Cl)c(-c4nc5ccccc5n4C)c2)C3)CC1 10.1039/C6MD00020G
CHEMBL3819191 147604 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 505 3 0 6 4.9 CN1CCN(C(=O)c2cc3c(s2)CCN(c2ccc(Cl)c(-c4nc5ccccc5n4C)c2)C3)CC1 10.1039/C6MD00020G
44186378 199238 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL520858 199238 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508182 138381 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 1 5 3.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)ncc1Cl nan
CHEMBL3692768 138381 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 1 5 3.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)ncc1Cl nan
137644724 165263 0 None - 0 Mouse 4.9 pIC50 = 4.9 Binding
Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assayInhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay
ChEMBL 355 4 1 3 4.4 COc1cccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)c1 10.1021/acs.jmedchem.6b01135
CHEMBL4090942 165263 0 None - 0 Mouse 4.9 pIC50 = 4.9 Binding
Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assayInhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay
ChEMBL 355 4 1 3 4.4 COc1cccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)c1 10.1021/acs.jmedchem.6b01135
89736328 138917 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 5 1 5 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3CCCCO3)CC2)ncc1Cl nan
CHEMBL3696742 138917 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 5 1 5 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3CCCCO3)CC2)ncc1Cl nan
44186185 194788 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
CHEMBL497412 194788 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
44591325 186156 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 500 6 2 2 7.2 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473896 186156 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 500 6 2 2 7.2 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
24797802 196382 0 None - 0 Mouse 7.9 pIC50 = 7.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 490 6 2 3 6.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccco2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL514764 196382 0 None - 0 Mouse 7.9 pIC50 = 7.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 490 6 2 3 6.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccco2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
44186312 194571 0 None - 0 Mouse 7.9 pIC50 = 7.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495877 194571 0 None - 0 Mouse 7.9 pIC50 = 7.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
68039900 138956 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 6 1 6 2.9 Cc1cnc(-c2cc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696780 138956 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 6 1 6 2.9 Cc1cnc(-c2cc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
67508121 138990 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 395 4 0 6 1.7 Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)c(C)c1 nan
CHEMBL3696814 138990 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 395 4 0 6 1.7 Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)c(C)c1 nan
155567305 182767 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 488 7 2 9 4.2 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4588930 182767 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 488 7 2 9 4.2 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
44629071 71686 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 502 6 2 6 5.4 O=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822448 71686 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 502 6 2 6 5.4 O=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56683603 70803 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807226 70803 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
137521126 181591 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 581 7 1 8 4.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(-n5cn[nH]c5=O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4562342 181591 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 581 7 1 8 4.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(-n5cn[nH]c5=O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
56682551 71857 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 443 4 0 6 4.7 COc1ccccc1N(C)C(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823827 71857 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 443 4 0 6 4.7 COc1ccccc1N(C)C(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56663266 70810 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 452 4 1 2 4.9 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)CC2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807233 70810 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 452 4 1 2 4.9 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)CC2C1 10.1016/j.bmcl.2011.06.024
45270956 202139 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 391 9 1 4 5.1 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C(C)=O)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL551873 202139 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 391 9 1 4 5.1 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C(C)=O)cc2)c1 10.1016/j.bmcl.2009.05.112
56658170 71667 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 520 5 2 7 5.0 CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822299 71667 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 520 5 2 7 5.0 CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
155567305 182767 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 488 7 2 9 4.2 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4588930 182767 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 488 7 2 9 4.2 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
44591292 196448 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 419 6 2 3 5.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2008.11.096
CHEMBL515245 196448 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 419 6 2 3 5.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2008.11.096
44186183 194847 1 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3ncc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497820 194847 1 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3ncc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
68039817 138384 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 492 4 0 6 4.8 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCc4c(c(C(C)C)nn4C)C3)CC2)ncc1Cl nan
CHEMBL3692770 138384 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 492 4 0 6 4.8 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCc4c(c(C(C)C)nn4C)C3)CC2)ncc1Cl nan
25065064 194569 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495875 194569 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
163215596 198235 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 612 8 3 11 4.8 Cc1cnc(NC2CCOCC2)nc1Oc1ccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)cc1 10.1016/j.bmc.2022.117051
CHEMBL5193213 198235 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 612 8 3 11 4.8 Cc1cnc(NC2CCOCC2)nc1Oc1ccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)cc1 10.1016/j.bmc.2022.117051
56675308 71701 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 493 5 1 8 3.2 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCOCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822463 71701 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 493 5 1 8 3.2 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCOCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
56678644 71703 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 491 5 1 8 2.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822465 71703 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 491 5 1 8 2.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56662793 71178 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813109 71178 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56669676 71175 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813106 71175 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
44186313 194765 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497266 194765 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
46891104 13194 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 Cc1ccccc1-c1nnc(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1082387 13194 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 Cc1ccccc1-c1nnc(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc12 10.1016/j.bmcl.2010.04.110
46891044 13513 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 424 4 0 5 4.3 COc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083738 13513 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 424 4 0 5 4.3 COc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
69046981 138960 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 396 6 2 6 1.7 O=S(=O)(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696784 138960 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 396 6 2 6 1.7 O=S(=O)(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
45273586 202503 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 403 8 1 3 5.7 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc3c2CCCC3)c1 10.1016/j.bmcl.2009.05.112
CHEMBL557114 202503 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 403 8 1 3 5.7 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc3c2CCCC3)c1 10.1016/j.bmcl.2009.05.112
122185881 129541 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 454 5 2 5 6.5 O=C(Nc1cc(-c2ccc3nc(NC4CC4)sc3c2)cnc1Cl)c1cccc(Cl)c1 10.1016/j.bmcl.2015.06.049
CHEMBL3604623 129541 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 454 5 2 5 6.5 O=C(Nc1cc(-c2ccc3nc(NC4CC4)sc3c2)cnc1Cl)c1cccc(Cl)c1 10.1016/j.bmcl.2015.06.049
122185882 129542 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 434 6 2 5 6.1 O=C(Nc1cc(-c2ccc3nc(NCC4CC4)sc3c2)cnc1Cl)c1ccccc1 10.1016/j.bmcl.2015.06.049
CHEMBL3604624 129542 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 434 6 2 5 6.1 O=C(Nc1cc(-c2ccc3nc(NCC4CC4)sc3c2)cnc1Cl)c1ccccc1 10.1016/j.bmcl.2015.06.049
44628288 71865 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1cccnc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823835 71865 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1cccnc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56675926 71867 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 418 3 1 7 4.3 Cc1noc(C)c1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823838 71867 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 418 3 1 7 4.3 Cc1noc(C)c1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44628452 71872 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823843 71872 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
10356 10010 95 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopyInhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopy
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1038/nchembio753
5284329 10010 95 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopyInhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopy
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1038/nchembio753
CHEMBL1221984 10010 95 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopyInhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopy
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1038/nchembio753
10328 8068 66 None - 1 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
442972 8068 66 None - 1 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
CHEMBL254129 8068 66 None - 1 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
90656298 117800 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 479 3 1 7 3.5 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CC(C)NC(C)C5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262638 117800 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 479 3 1 7 3.5 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CC(C)NC(C)C5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
56658575 71884 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 3 1 5 4.8 O=C(NC1CCC(F)(F)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823860 71884 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 3 1 5 4.8 O=C(NC1CCC(F)(F)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56662002 71831 0 None - 0 Human 4.8 pIC50 = 4.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2noc(-c3ccc4ccccc4n3)n2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823581 71831 0 None - 0 Human 4.8 pIC50 = 4.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2noc(-c3ccc4ccccc4n3)n2)CC1 10.1016/j.bmcl.2011.07.031
71460278 87593 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.5 C[C@@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)O[C@@H]1c1ccccc1 10.1021/ml300172p
CHEMBL2152354 87593 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.5 C[C@@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)O[C@@H]1c1ccccc1 10.1021/ml300172p
71460280 87595 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 418 4 1 4 3.2 O=C(C[C@@H]1C/C=C/CCC(=O)OC[C@@H]2CCCN2C1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152356 87595 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 418 4 1 4 3.2 O=C(C[C@@H]1C/C=C/CCC(=O)OC[C@@H]2CCCN2C1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
44186184 194872 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498017 194872 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25067132 194532 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495620 194532 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
155521964 177388 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 370 3 0 2 3.7 C[C@H]1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4450803 177388 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 370 3 0 2 3.7 C[C@H]1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
69046988 138391 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 489 6 1 7 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4cccnc4n3C)CC2)ncc1Cl nan
CHEMBL3692777 138391 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 489 6 1 7 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4cccnc4n3C)CC2)ncc1Cl nan
163215599 198933 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 682 8 3 11 5.8 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Sc4nc(NC5CCOCC5)ncc4C(F)(F)F)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5203874 198933 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 682 8 3 11 5.8 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Sc4nc(NC5CCOCC5)ncc4C(F)(F)F)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
44186526 194758 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 1 6 3.7 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4[nH]cnc34)CC2)nc1 10.1021/jm900309j
CHEMBL497210 194758 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 1 6 3.7 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4[nH]cnc34)CC2)nc1 10.1021/jm900309j
134157894 160999 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 504 6 1 5 5.9 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c2nc(CN3CCOCC3)ccc21 10.1021/acs.jmedchem.6b01247
CHEMBL3986017 160999 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 504 6 1 5 5.9 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c2nc(CN3CCOCC3)ccc21 10.1021/acs.jmedchem.6b01247
67508389 138382 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3(O)CCC3)CC2)ncc1Cl nan
CHEMBL3692769 138382 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3(O)CCC3)CC2)ncc1Cl nan
56681961 71685 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 462 6 2 6 4.5 CC(C)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822447 71685 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 462 6 2 6 4.5 CC(C)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
56679830 71176 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813107 71176 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
24776445 10769 115 None - 1 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2015.06.049
4227 10769 115 None - 1 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2015.06.049
6975 10769 115 None - 1 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2015.06.049
CHEMBL473417 10769 115 None - 1 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2015.06.049
DB08828 10769 115 None - 1 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2015.06.049
89736478 138967 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 392 5 1 5 2.8 O=S(=O)(NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1)C1CC1 nan
CHEMBL3696791 138967 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 392 5 1 5 2.8 O=S(=O)(NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1)C1CC1 nan
56673643 70804 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 535 4 1 4 4.8 O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807227 70804 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 535 4 1 4 4.8 O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
137521150 182048 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccc(O)c5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4572598 182048 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccc(O)c5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
89735918 138348 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 304 2 1 5 2.5 Cc1cccnc1-c1nc(N2CCC(O)CC2)ncc1Cl nan
CHEMBL3692735 138348 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 304 2 1 5 2.5 Cc1cccnc1-c1nc(N2CCC(O)CC2)ncc1Cl nan
56673182 71182 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813112 71182 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
56682553 71870 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 405 3 1 5 4.5 O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823841 71870 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 405 3 1 5 4.5 O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56675800 71883 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 455 3 1 7 2.8 O=C(NC1CCS(=O)(=O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823859 71883 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 455 3 1 7 2.8 O=C(NC1CCS(=O)(=O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
89735840 138913 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 6 1 5 4.6 COc1ccccc1CNC(=O)C1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3696738 138913 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 6 1 5 4.6 COc1ccccc1CNC(=O)C1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
67508976 138385 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CC[C@@H](O)C3)CC2)ncc1Cl nan
CHEMBL3692771 138385 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CC[C@@H](O)C3)CC2)ncc1Cl nan
25067132 194532 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495620 194532 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736341 138356 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 359 5 0 4 4.7 Cc1cccnc1-c1cc(N2CCC(OCC(C)C)CC2)ncc1Cl nan
CHEMBL3692743 138356 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 359 5 0 4 4.7 Cc1cccnc1-c1cc(N2CCC(OCC(C)C)CC2)ncc1Cl nan
25065069 199984 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523431 199984 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186431 194760 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL497217 194760 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
44591366 185871 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 494 6 2 3 6.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCC2CCOC2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL471673 185871 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 494 6 2 3 6.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCC2CCOC2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
49862153 21758 6 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 394 5 0 5 4.0 COc1ccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209047 21758 6 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 394 5 0 5 4.0 COc1ccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
56675308 71701 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 493 5 1 8 3.2 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCOCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822463 71701 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 493 5 1 8 3.2 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCOCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
44186482 194764 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497238 194764 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
44186480 194790 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497437 194790 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
44186378 199238 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL520858 199238 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736072 138951 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Cl)nc1 nan
CHEMBL3696775 138951 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Cl)nc1 nan
46890991 13808 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 462 3 0 4 5.6 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1084836 13808 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 462 3 0 4 5.6 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
163215600 198342 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 648 8 3 11 5.5 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Sc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5194809 198342 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 648 8 3 11 5.5 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Sc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
89736282 138368 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 347 4 1 6 1.4 Cc1cccnc1-c1ccnc(N2CCC(NS(C)(=O)=O)CC2)n1 nan
CHEMBL3692755 138368 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 347 4 1 6 1.4 Cc1cccnc1-c1ccnc(N2CCC(NS(C)(=O)=O)CC2)n1 nan
163215591 197519 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 628 8 3 12 5.0 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(Nc5cnn(C)c5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5182673 197519 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 628 8 3 12 5.0 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(Nc5cnn(C)c5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
86691911 138972 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 468 6 1 6 3.1 Cc1cnc(-c2c(Cl)cnc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)c2F)c(C)c1 nan
CHEMBL3696796 138972 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 468 6 1 6 3.1 Cc1cnc(-c2c(Cl)cnc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)c2F)c(C)c1 nan
24797888 186610 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2scnc2C)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474508 186610 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2scnc2C)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
44629236 71839 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.3 O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823591 71839 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.3 O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
122185874 129535 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 440 4 2 5 5.4 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604616 129535 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 440 4 2 5 5.4 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
56679829 71169 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813100 71169 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
56679239 71878 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 407 3 1 6 3.4 O=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823854 71878 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 407 3 1 6 3.4 O=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56680083 70950 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 420 4 1 4 2.7 COc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808462 70950 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 420 4 1 4 2.7 COc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56675306 71694 0 None - 0 Human 4.8 pIC50 = 4.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccncc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822456 71694 0 None - 0 Human 4.8 pIC50 = 4.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccncc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
67508758 138351 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 367 3 0 6 1.6 Cc1cccnc1-c1nc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692738 138351 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 367 3 0 6 1.6 Cc1cccnc1-c1nc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl nan
25065064 194569 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495875 194569 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186485 194756 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccoc34)CC2)nc1 10.1021/jm900309j
CHEMBL497209 194756 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccoc34)CC2)nc1 10.1021/jm900309j
155541363 179768 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 480 7 2 9 3.6 CC1CCCCC1NC(=O)C1CCN(c2nnc(-n3nccc3CNc3ccccn3)s2)CC1 10.1016/j.ejmech.2019.03.057
CHEMBL4517976 179768 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 480 7 2 9 3.6 CC1CCCCC1NC(=O)C1CCN(c2nnc(-n3nccc3CNc3ccccn3)s2)CC1 10.1016/j.ejmech.2019.03.057
155547338 180358 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
CHEMBL4532846 180358 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
46181999 71180 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813110 71180 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56662793 71178 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813109 71178 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
127048732 147551 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 492 3 0 6 5.0 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818447 147551 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 492 3 0 6 5.0 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
67509542 138326 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1cccnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692713 138326 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1cccnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
67508194 138330 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 434 4 1 5 3.6 CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3Cl)c(Cl)cn2)CC1 nan
CHEMBL3692717 138330 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 434 4 1 5 3.6 CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3Cl)c(Cl)cn2)CC1 nan
155536472 178937 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1cnc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4473275 178937 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1cnc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56678642 71688 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 524 5 1 6 5.2 O=C(NCC1(N2CCC(F)(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822450 71688 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 524 5 1 6 5.2 O=C(NCC1(N2CCC(F)(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56669674 71170 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813101 71170 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56658549 71829 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823579 71829 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44186181 194821 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497639 194821 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
134143997 156977 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 484 3 1 6 5.3 C[C@@H]1CC[C@H]2[C@@](C)(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)OC3O[C@@]4(C)CC[C@@H]1[C@]32OO4 10.1021/acs.jmedchem.6b01247
CHEMBL3951963 156977 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 484 3 1 6 5.3 C[C@@H]1CC[C@H]2[C@@](C)(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)OC3O[C@@]4(C)CC[C@@H]1[C@]32OO4 10.1021/acs.jmedchem.6b01247
56668936 71889 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 1 6 3.4 O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823865 71889 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 1 6 3.4 O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
155537273 179041 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 508 7 2 9 4.2 Cc1ccc(NCc2c(-c3nnc(N4CCC(C(=O)NC5CCCCC5C)CC4)s3)cnn2C)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4474558 179041 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 508 7 2 9 4.2 Cc1ccc(NCc2c(-c3nnc(N4CCC(C(=O)NC5CCCCC5C)CC4)s3)cnn2C)nc1 10.1016/j.ejmech.2019.03.057
44628528 71876 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 463 4 1 6 5.4 COc1ccc2nc(-c3noc(C4CCN(C(=O)Nc5ccccc5Cl)CC4)n3)ccc2c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823850 71876 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 463 4 1 6 5.4 COc1ccc2nc(-c3noc(C4CCN(C(=O)Nc5ccccc5Cl)CC4)n3)ccc2c1 10.1016/j.bmcl.2011.07.031
56679122 71882 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 3 1 6 3.1 O=C(NC1CC[S+]([O-])CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823858 71882 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 3 1 6 3.1 O=C(NC1CC[S+]([O-])CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56676957 70798 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 457 4 1 5 3.4 O=C(Nc1ccccc1-c1cnco1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807221 70798 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 457 4 1 5 3.4 O=C(Nc1ccccc1-c1cnco1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
45267540 202772 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 449 9 1 5 5.8 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C(=O)OC(C)(C)C)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL559874 202772 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 449 9 1 5 5.8 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C(=O)OC(C)(C)C)cc2)c1 10.1016/j.bmcl.2009.05.112
90286184 117814 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 450 3 1 6 4.1 Cc1cnc(-c2cc(N3CCn4cc(NC(=O)C(F)(F)F)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262652 117814 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 450 3 1 6 4.1 Cc1cnc(-c2cc(N3CCn4cc(NC(=O)C(F)(F)F)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
45272668 202527 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 350 8 1 4 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL557448 202527 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 350 8 1 4 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2)c1 10.1016/j.bmcl.2009.05.112
134139096 154641 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 496 4 1 5 6.1 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 10.1021/acs.jmedchem.6b01247
CHEMBL3933195 154641 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 496 4 1 5 6.1 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 10.1021/acs.jmedchem.6b01247
89736551 138376 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 462 4 2 5 4.1 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)CC2)ncc1Cl nan
CHEMBL3692763 138376 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 462 4 2 5 4.1 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)CC2)ncc1Cl nan
25065893 199728 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL522241 199728 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
8440567 21766 3 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 384 4 0 4 4.3 Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.06.033
CHEMBL1209095 21766 3 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 384 4 0 4 4.3 Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.06.033
44186314 194921 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498457 194921 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49862152 21757 12 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 376 5 0 5 3.8 COc1ccccc1N1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 10.1016/j.bmcl.2010.06.033
CHEMBL1209046 21757 12 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 376 5 0 5 3.8 COc1ccccc1N1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 10.1016/j.bmcl.2010.06.033
89736183 131236 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 4 1 7 1.2 Cc1cccnc1-c1cc(N2CC(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)C2)ncc1Cl nan
CHEMBL3639916 131236 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 4 1 7 1.2 Cc1cccnc1-c1cc(N2CC(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)C2)ncc1Cl nan
56671928 71702 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 491 5 1 7 4.3 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822464 71702 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 491 5 1 7 4.3 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
56676511 71183 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813113 71183 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
56673642 70802 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807225 70802 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
127039132 143602 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 514 6 3 4 6.6 O=C(NC(=O)c1ccc(OCc2ccccc2F)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 10.1039/C5MD00092K
CHEMBL3741651 143602 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 514 6 3 4 6.6 O=C(NC(=O)c1ccc(OCc2ccccc2F)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 10.1039/C5MD00092K
6407374 13295 10 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 394 3 0 4 4.3 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1082791 13295 10 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 394 3 0 4 4.3 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
89735924 138949 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 401 5 1 5 3.1 Cc1cnc(-c2cc(N3CCC(NC(=O)CN(C)C)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696773 138949 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 401 5 1 5 3.1 Cc1cnc(-c2cc(N3CCC(NC(=O)CN(C)C)CC3)ncc2Cl)c(C)c1 nan
67508115 138938 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 4 1 5 3.2 Cc1cnc(-c2cc(N3CCN(C(=O)CC(C)(C)O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696762 138938 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 4 1 5 3.2 Cc1cnc(-c2cc(N3CCN(C(=O)CC(C)(C)O)CC3)ncc2Cl)c(C)c1 nan
24797980 186157 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccncc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473897 186157 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccncc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
122185883 129543 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 468 6 2 5 6.7 O=C(Nc1cc(-c2ccc3nc(NCC4CC4)sc3c2)cnc1Cl)c1cccc(Cl)c1 10.1016/j.bmcl.2015.06.049
CHEMBL3604625 129543 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 468 6 2 5 6.7 O=C(Nc1cc(-c2ccc3nc(NCC4CC4)sc3c2)cnc1Cl)c1cccc(Cl)c1 10.1016/j.bmcl.2015.06.049
137521167 177117 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccc(O)c5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4447164 177117 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccc(O)c5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
137521038 178860 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccnc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4472335 178860 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccnc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
163215590 198595 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 666 8 3 11 5.5 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4C(F)(F)F)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5198527 198595 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 666 8 3 11 5.5 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4C(F)(F)F)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
56662005 71842 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3cnc4ccccc4c3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823603 71842 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3cnc4ccccc4c3)no2)CC1 10.1016/j.bmcl.2011.07.031
56669087 71875 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 6 5.2 N#Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823846 71875 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 6 5.2 N#Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
10328 8068 66 None - 1 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
442972 8068 66 None - 1 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
CHEMBL254129 8068 66 None - 1 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
156019808 184795 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 459 6 1 6 3.7 CC(=O)c1ccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3Nc3ccnn3C)CC2)cc1 10.1016/j.bmc.2020.115354
CHEMBL4646599 184795 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 459 6 1 6 3.7 CC(=O)c1ccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3Nc3ccnn3C)CC2)cc1 10.1016/j.bmc.2020.115354
57539065 82301 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 350 3 3 4 2.9 CN1CC[C@@H](NC(=O)Nc2cccnc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043439 82301 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 350 3 3 4 2.9 CN1CC[C@@H](NC(=O)Nc2cccnc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
127048733 147621 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 506 3 1 6 5.1 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3819380 147621 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 506 3 1 6 5.1 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
25065894 199963 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523255 199963 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89735969 138353 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 344 3 1 4 3.2 CC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692740 138353 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 344 3 1 4 3.2 CC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
46871827 13807 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084835 13807 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
46891245 13772 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 448 4 0 4 5.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C3CC3)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084730 13772 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 448 4 0 4 5.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C3CC3)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
25253556 83260 15 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059865 83260 15 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
70688555 83258 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059863 83258 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
67374621 83259 2 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1 10.1016/j.bmcl.2012.04.104
CHEMBL2059864 83259 2 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1 10.1016/j.bmcl.2012.04.104
10334 7216 22 None - 0 Mouse 8.6 pIC50 = 8.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
24905375 7216 22 None - 0 Mouse 8.6 pIC50 = 8.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
CHEMBL485870 7216 22 None - 0 Mouse 8.6 pIC50 = 8.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
46891248 13775 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 438 4 1 5 4.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084734 13775 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 438 4 1 5 4.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
25255940 13778 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 476 3 0 4 5.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084738 13778 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 476 3 0 4 5.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
44186430 194684 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496604 194684 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25167313 82299 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 383 3 3 3 4.2 CN1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043436 82299 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 383 3 3 3 4.2 CN1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
25065678 194529 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL495608 194529 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
49862154 21759 13 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 394 5 0 5 4.0 COc1cccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209048 21759 13 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 394 5 0 5 4.0 COc1cccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
46891046 13516 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 424 4 0 5 4.3 COc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1 10.1016/j.bmcl.2010.04.110
CHEMBL1083740 13516 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 424 4 0 5 4.3 COc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1 10.1016/j.bmcl.2010.04.110
24776445 10769 115 None - 1 Human 7.7 pIC50 = 7.7 Binding
Inhibition of smoothened (unknown origin)-mediated Shh signalingInhibition of smoothened (unknown origin)-mediated Shh signaling
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
4227 10769 115 None - 1 Human 7.7 pIC50 = 7.7 Binding
Inhibition of smoothened (unknown origin)-mediated Shh signalingInhibition of smoothened (unknown origin)-mediated Shh signaling
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
6975 10769 115 None - 1 Human 7.7 pIC50 = 7.7 Binding
Inhibition of smoothened (unknown origin)-mediated Shh signalingInhibition of smoothened (unknown origin)-mediated Shh signaling
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
CHEMBL473417 10769 115 None - 1 Human 7.7 pIC50 = 7.7 Binding
Inhibition of smoothened (unknown origin)-mediated Shh signalingInhibition of smoothened (unknown origin)-mediated Shh signaling
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
DB08828 10769 115 None - 1 Human 7.7 pIC50 = 7.7 Binding
Inhibition of smoothened (unknown origin)-mediated Shh signalingInhibition of smoothened (unknown origin)-mediated Shh signaling
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
46891105 13197 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 428 3 0 4 4.9 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3Cl)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1082396 13197 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 428 3 0 4 4.9 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3Cl)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
89736224 138975 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 0 6 2.0 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2F)c(C)c1 nan
CHEMBL3696799 138975 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 0 6 2.0 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2F)c(C)c1 nan
89736258 138944 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.3 Cc1cc(Cl)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696768 138944 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.3 Cc1cc(Cl)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
67508468 138334 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl nan
CHEMBL3692721 138334 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl nan
89736220 138982 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 6 2 6 2.1 Cc1cc(F)cnc1-c1cc(N2CCC(NS(=O)(=O)CCO)CC2)ncc1Cl nan
CHEMBL3696806 138982 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 6 2 6 2.1 Cc1cc(F)cnc1-c1cc(N2CCC(NS(=O)(=O)CCO)CC2)ncc1Cl nan
89736425 138943 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 398 4 1 5 2.8 Cc1cc(F)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696767 138943 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 398 4 1 5 2.8 Cc1cc(F)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
56668414 71687 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 506 5 1 6 4.9 O=C(NCC1(N2CCC(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822449 71687 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 506 5 1 6 4.9 O=C(NCC1(N2CCC(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
45268408 202952 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2C)c1 10.1016/j.bmcl.2009.05.112
CHEMBL561330 202952 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2C)c1 10.1016/j.bmcl.2009.05.112
45270943 203401 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 349 8 1 3 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL564222 203401 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 349 8 1 3 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2)c1 10.1016/j.bmcl.2009.05.112
90656301 117807 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 1 7 4.3 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5cccnc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262645 117807 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 1 7 4.3 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5cccnc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
56658170 71667 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 520 5 2 7 5.0 CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822299 71667 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 520 5 2 7 5.0 CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
56659601 70900 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 454 5 1 3 4.1 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808288 70900 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 454 5 1 3 4.1 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
70680398 87612 0 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152380 87612 0 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
49862153 21758 6 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 394 5 0 5 4.0 COc1ccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209047 21758 6 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 394 5 0 5 4.0 COc1ccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
44480300 87598 0 None - 0 Mouse 4.7 pIC50 = 4.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152360 87598 0 None - 0 Mouse 4.7 pIC50 = 4.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
89751014 138355 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 375 7 1 5 3.7 Cc1cccnc1-c1cc(N2CCC(COCCCO)CC2)ncc1Cl nan
CHEMBL3692742 138355 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 375 7 1 5 3.7 Cc1cccnc1-c1cc(N2CCC(COCCCO)CC2)ncc1Cl nan
56671928 71702 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 491 5 1 7 4.3 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822464 71702 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 491 5 1 7 4.3 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
56676509 71165 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813096 71165 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56669677 71177 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813108 71177 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
44186376 198149 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
CHEMBL519219 198149 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
70682196 83264 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059869 83264 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70694800 83270 1 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059875 83270 1 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
67508124 138365 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 4 1 5 2.9 Cc1cccnc1-c1cc(N2CCN(C(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3692752 138365 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 4 1 5 2.9 Cc1cccnc1-c1cc(N2CCN(C(=O)CC(C)(C)O)CC2)ncc1Cl nan
44591346 181067 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 551 6 2 3 7.7 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cnc4ccccc4c2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL454984 181067 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 551 6 2 3 7.7 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cnc4ccccc4c2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56671926 71689 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 518 6 1 7 4.6 COC1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822451 71689 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 518 6 1 7 4.6 COC1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
56664980 71691 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 510 6 1 6 5.4 O=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822453 71691 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 510 6 1 6 5.4 O=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56663080 70947 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 432 4 1 3 3.8 CC(C)c1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808459 70947 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 432 4 1 3 3.8 CC(C)c1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
122185880 129540 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 5 2 5 5.8 O=C(Nc1cc(-c2ccc3nc(NC4CC4)sc3c2)cnc1Cl)c1ccccc1 10.1016/j.bmcl.2015.06.049
CHEMBL3604622 129540 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 5 2 5 5.8 O=C(Nc1cc(-c2ccc3nc(NC4CC4)sc3c2)cnc1Cl)c1ccccc1 10.1016/j.bmcl.2015.06.049
25067132 194532 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495620 194532 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186482 194764 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497238 194764 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
137521019 178961 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 581 7 1 8 4.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(-n5cn[nH]c5=O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4473575 178961 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 581 7 1 8 4.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(-n5cn[nH]c5=O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
56682402 71837 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 449 3 2 6 4.5 O=C(Nc1ccccc1Cl)N1CCC(O)(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823589 71837 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 449 3 2 6 4.5 O=C(Nc1ccccc1Cl)N1CCC(O)(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
134151006 158889 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 419 4 1 3 6.4 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3ccccn3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3967752 158889 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 419 4 1 3 6.4 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3ccccn3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
44186185 194788 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
CHEMBL497412 194788 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
46891103 13193 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 419 3 0 5 4.1 N#Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1 10.1016/j.bmcl.2010.04.110
CHEMBL1082386 13193 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 419 3 0 5 4.1 N#Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1 10.1016/j.bmcl.2010.04.110
67509813 138346 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 4 0 5 2.4 COCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692733 138346 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 4 0 5 2.4 COCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
127052484 147506 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 635 4 0 6 7.8 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3817897 147506 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 635 4 0 6 7.8 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
46891162 13659 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3cccnc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1084241 13659 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3cccnc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
49862237 21779 0 None - 3 Human 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 395 6 0 5 4.3 COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209157 21779 0 None - 3 Human 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 395 6 0 5 4.3 COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 10.1016/j.bmcl.2010.06.033
127052181 147640 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 569 4 0 7 4.2 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(S(C)(=O)=O)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3819639 147640 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 569 4 0 7 4.2 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(S(C)(=O)=O)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
44186181 194821 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497639 194821 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
89735976 138386 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 6 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692772 138386 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 6 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCS(C)(=O)=O)CC2)ncc1Cl nan
56679830 71176 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813107 71176 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
53361076 71184 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813114 71184 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
44186482 194764 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497238 194764 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
2951813 13669 12 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of mouse SMO expressed in NIH-3T3 cellsInhibition of mouse SMO expressed in NIH-3T3 cells
ChEMBL 400 3 0 5 4.3 O=C(c1cccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1084301 13669 12 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of mouse SMO expressed in NIH-3T3 cellsInhibition of mouse SMO expressed in NIH-3T3 cells
ChEMBL 400 3 0 5 4.3 O=C(c1cccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
89736259 138950 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 4 1 5 2.0 Cc1ccc(-c2cccc(N3CCC(NS(C)(=O)=O)CC3)n2)nc1 nan
CHEMBL3696774 138950 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 4 1 5 2.0 Cc1ccc(-c2cccc(N3CCC(NS(C)(=O)=O)CC3)n2)nc1 nan
68039818 138980 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 5 0 6 2.2 Cc1ccc(-c2nc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ccc2Cl)nc1 nan
CHEMBL3696804 138980 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 5 0 6 2.2 Cc1ccc(-c2nc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ccc2Cl)nc1 nan
155543109 180058 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccncc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4525451 180058 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccncc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56682550 71856 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1cccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823825 71856 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1cccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
56659805 70797 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 472 4 1 4 4.5 O=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807220 70797 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 472 4 1 4 4.5 O=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56676826 70892 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808279 70892 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
134150938 158956 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 450 5 1 5 6.2 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc(C4CC4)no3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3968327 158956 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 450 5 1 5 6.2 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc(C4CC4)no3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
56665497 71840 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 428 4 1 5 5.3 COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823600 71840 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 428 4 1 5 5.3 COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 10.1016/j.bmcl.2011.07.031
44628222 71845 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4cnccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823614 71845 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4cnccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
137521159 177720 0 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccccc5O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4455409 177720 0 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccccc5O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
44186375 192045 1 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL485869 192045 1 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
6404568 194602 12 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496013 194602 12 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
25065893 199728 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL522241 199728 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25065069 199984 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523431 199984 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56661679 71670 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 504 5 1 7 4.2 O=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822302 71670 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 504 5 1 7 4.2 O=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
25065678 194529 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL495608 194529 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
24776445 10769 115 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.03.079
4227 10769 115 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.03.079
6975 10769 115 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.03.079
CHEMBL473417 10769 115 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.03.079
DB08828 10769 115 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.03.079
89736145 138946 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 5 1 6 1.9 Cc1cnc(-c2cc(N3CCN(S(=O)(=O)CCO)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696770 138946 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 5 1 6 1.9 Cc1cnc(-c2cc(N3CCN(S(=O)(=O)CCO)CC3)ncc2Cl)c(C)c1 nan
56658169 71665 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 516 5 1 6 4.7 O=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822297 71665 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 516 5 1 6 4.7 O=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56676510 71166 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813097 71166 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
44186185 194788 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
CHEMBL497412 194788 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
56672547 71881 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 448 3 1 6 3.2 CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823857 71881 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 448 3 1 6 3.2 CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
71458430 87609 0 None - 0 Mouse 4.6 pIC50 = 4.6 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 420 5 2 4 3.4 CC(C)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)N1 10.1021/ml300172p
CHEMBL2152378 87609 0 None - 0 Mouse 4.6 pIC50 = 4.6 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 420 5 2 4 3.4 CC(C)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)N1 10.1021/ml300172p
67508832 138380 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 488 6 0 6 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CC(S(=O)(=O)CC4CC4)C3)CC2)ncc1Cl nan
CHEMBL3692767 138380 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 488 6 0 6 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CC(S(=O)(=O)CC4CC4)C3)CC2)ncc1Cl nan
46891300 14093 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 412 3 0 6 3.3 C[C@H]1CN(c2nnc(N3CC=CC=N3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1086141 14093 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 412 3 0 6 3.3 C[C@H]1CN(c2nnc(N3CC=CC=N3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
127053109 147572 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 535 4 0 8 4.6 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818767 147572 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 535 4 0 8 4.6 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
67509832 138343 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 3 1 5 1.7 Cc1cccnc1-c1cc(N2CCN(C(=O)CO)CC2)ncc1Cl nan
CHEMBL3692730 138343 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 3 1 5 1.7 Cc1cccnc1-c1cc(N2CCN(C(=O)CO)CC2)ncc1Cl nan
132606868 162874 0 None - 0 Mouse 4.6 pIC50 = 4.6 Binding
Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assayInhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay
ChEMBL 403 3 1 2 5.2 O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 10.1021/acs.jmedchem.6b01135
CHEMBL4063037 162874 0 None - 0 Mouse 4.6 pIC50 = 4.6 Binding
Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assayInhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay
ChEMBL 403 3 1 2 5.2 O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 10.1021/acs.jmedchem.6b01135
56964691 81561 10 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 539 8 3 6 5.9 COc1cc(C(=O)NC(=O)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031277 81561 10 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 539 8 3 6 5.9 COc1cc(C(=O)NC(=O)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
89735961 138352 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 381 4 1 6 2.0 Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692739 138352 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 381 4 1 6 2.0 Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
24797980 186157 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccncc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473897 186157 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccncc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56668541 71671 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 518 5 1 7 4.6 O=C(NCC1(N2CCOCC2)CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822303 71671 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 518 5 1 7 4.6 O=C(NCC1(N2CCOCC2)CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
134142019 153516 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 512 4 1 6 6.0 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 10.1021/acs.jmedchem.6b01247
CHEMBL3924243 153516 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 512 4 1 6 6.0 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 10.1021/acs.jmedchem.6b01247
134157506 160359 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 459 4 1 4 7.1 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4o3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3980443 160359 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 459 4 1 4 7.1 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4o3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
67508087 138342 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 2 0 5 3.0 COC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692729 138342 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 2 0 5 3.0 COC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
44186480 194790 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497437 194790 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
44186314 194921 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498457 194921 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186312 194571 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495877 194571 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508825 138354 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 347 2 0 6 2.4 COC(=O)N1CCN(c2ncc(Cl)c(-c3ncccc3C)n2)CC1 nan
CHEMBL3692741 138354 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 347 2 0 6 2.4 COC(=O)N1CCN(c2ncc(Cl)c(-c3ncccc3C)n2)CC1 nan
9869236 172226 1 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL423915 172226 1 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
44186430 194684 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496604 194684 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186482 194764 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497238 194764 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
10330 10239 52 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
6878030 10239 52 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL515916 10239 52 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
56682418 71888 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 445 3 1 7 3.0 Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823864 71888 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 445 3 1 7 3.0 Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
67508229 138361 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 372 2 0 4 3.8 Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)(C)C)CC2)ncc1Cl nan
CHEMBL3692748 138361 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 372 2 0 4 3.8 Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)(C)C)CC2)ncc1Cl nan
89736213 138392 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 497 7 1 6 3.1 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3CN(CC4CC4)C(=O)CO3)CC2)ncc1Cl nan
CHEMBL3692778 138392 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 497 7 1 6 3.1 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3CN(CC4CC4)C(=O)CO3)CC2)ncc1Cl nan
89736242 138395 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 5 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3(CO)CCCC3)CC2)ncc1Cl nan
CHEMBL3692780 138395 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 5 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3(CO)CCCC3)CC2)ncc1Cl nan
56673517 70889 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 396 3 1 3 2.5 O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808276 70889 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 396 3 1 3 2.5 O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56675927 71877 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 421 3 2 6 3.5 O=C(NC1CCC(O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823853 71877 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 421 3 2 6 3.5 O=C(NC1CCC(O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
25066322 194846 2 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3cnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497819 194846 2 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3cnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736542 138358 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 7 1 5 3.6 CCCNC(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692745 138358 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 7 1 5 3.6 CCCNC(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
25065678 194529 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL495608 194529 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
44186185 194788 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
CHEMBL497412 194788 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
18526613 194603 4 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496014 194603 4 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
89736048 138925 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 1 5 2.3 NS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696750 138925 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 1 5 2.3 NS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56967537 138957 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 7 1 6 2.3 COCCS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696781 138957 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 7 1 6 2.3 COCCS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
137521208 181602 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 543 7 0 7 5.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4562519 181602 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 543 7 0 7 5.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
56658051 71693 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1cccnc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822455 71693 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1cccnc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
127051279 147523 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 465 4 1 6 5.5 Cn1c(-c2cccc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818148 147523 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 465 4 1 6 5.5 Cn1c(-c2cccc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
134146294 155659 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 506 5 1 7 6.2 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)s3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3941556 155659 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 506 5 1 7 6.2 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)s3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
44186431 194760 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL497217 194760 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
25065069 199984 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523431 199984 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
90286574 117796 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 436 3 0 6 3.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262632 117796 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 436 3 0 6 3.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
90656300 117806 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 1 7 4.3 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccn5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262644 117806 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 1 7 4.3 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccn5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
90656303 117809 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 437 5 0 7 4.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OCC5CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262647 117809 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 437 5 0 7 4.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OCC5CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
134147491 156697 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 459 5 1 5 5.8 COC(=O)[C@H](C)c1ccc(C)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)nc12 10.1021/acs.jmedchem.6b01247
CHEMBL3949509 156697 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 459 5 1 5 5.8 COC(=O)[C@H](C)c1ccc(C)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)nc12 10.1021/acs.jmedchem.6b01247
25210551 186139 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL473703 186139 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
56675305 71692 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822454 71692 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
90656290 117792 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 396 3 1 6 3.0 CNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3262629 117792 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 396 3 1 6 3.0 CNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
46891346 13717 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 399 3 0 6 3.6 C[C@H]1CN(c2nnc(-c3ncco3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1084495 13717 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 399 3 0 6 3.6 C[C@H]1CN(c2nnc(-c3ncco3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
44591291 186056 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 453 6 2 3 5.9 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(Cl)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473073 186056 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 453 6 2 3 5.9 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(Cl)cc1 10.1016/j.bmcl.2008.11.096
44186378 199238 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL520858 199238 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
77304813 138390 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCCCC3O)CC2)ncc1Cl nan
CHEMBL3692776 138390 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCCCC3O)CC2)ncc1Cl nan
89736260 138923 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 442 5 2 5 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CC[C@H](CO)CC3)CC2)ncc1Cl nan
CHEMBL3696748 138923 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 442 5 2 5 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CC[C@H](CO)CC3)CC2)ncc1Cl nan
155544479 180129 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ncccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4527095 180129 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ncccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
10328 8068 66 None - 1 Human 6.6 pIC50 = 6.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
442972 8068 66 None - 1 Human 6.6 pIC50 = 6.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
CHEMBL254129 8068 66 None - 1 Human 6.6 pIC50 = 6.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
56682553 71870 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 405 3 1 5 4.5 O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823841 71870 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 405 3 1 5 4.5 O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44629067 71871 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 0 6 4.9 O=C(OC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823842 71871 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 0 6 4.9 O=C(OC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56670005 70893 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808280 70893 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56676827 70894 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1c(Cl)cccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808281 70894 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1c(Cl)cccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56673458 70943 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 526 3 1 3 5.0 O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808455 70943 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 526 3 1 3 5.0 O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
1139102 81544 52 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1039/C5MD00092K
CHEMBL2031084 81544 52 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1039/C5MD00092K
134138280 154551 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 475 4 1 4 7.6 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4s3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3932585 154551 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 475 4 1 4 7.6 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4s3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
67508422 138918 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 497 4 1 6 4.1 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOC4(CCN(C)CC4)C3)CC2)ncc1Cl nan
CHEMBL3696743 138918 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 497 4 1 6 4.1 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOC4(CCN(C)CC4)C3)CC2)ncc1Cl nan
156014249 183967 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 529 6 1 4 6.0 COc1ccccc1Nc1ccccc1C(=O)N1CCC(N(C)C(=O)c2ccc(F)cc2C(F)(F)F)CC1 10.1016/j.bmc.2020.115354
CHEMBL4635021 183967 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 529 6 1 4 6.0 COc1ccccc1Nc1ccccc1C(=O)N1CCC(N(C)C(=O)c2ccc(F)cc2C(F)(F)F)CC1 10.1016/j.bmc.2020.115354
44186312 194571 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495877 194571 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44591344 186423 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 514 6 2 2 7.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474301 186423 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 514 6 2 2 7.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
67509383 138945 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 6 0 6 2.5 COCCS(=O)(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
CHEMBL3696769 138945 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 6 0 6 2.5 COCCS(=O)(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
89736313 138987 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 398 4 1 5 2.8 Cc1cc(F)cnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl nan
CHEMBL3696811 138987 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 398 4 1 5 2.8 Cc1cc(F)cnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl nan
89736002 138977 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 454 6 1 6 2.8 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696801 138977 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 454 6 1 6 2.8 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
155541211 179780 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 504 7 2 7 5.4 Cc1ccc(NCc2ccccc2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4518172 179780 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 504 7 2 7 5.4 Cc1ccc(NCc2ccccc2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56675420 71669 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 464 5 1 7 3.3 CC(C)(CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCOCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822301 71669 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 464 5 1 7 3.3 CC(C)(CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCOCC1 10.1016/j.bmcl.2011.07.030
56675307 71695 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 434 5 1 6 3.7 CCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822457 71695 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 434 5 1 6 3.7 CCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
134153810 159347 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 424 4 1 3 6.0 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2CC(=O)CC[C@H]21 10.1021/acs.jmedchem.6b01247
CHEMBL3971787 159347 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 424 4 1 3 6.0 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2CC(=O)CC[C@H]21 10.1021/acs.jmedchem.6b01247
56672546 71879 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 2 6 2.9 O=C(NC1CCNCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823855 71879 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 2 6 2.9 O=C(NC1CCNCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44186431 194760 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL497217 194760 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
127048730 147514 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 458 3 0 6 4.3 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3817987 147514 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 458 3 0 6 4.3 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
67508735 138912 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.2 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOC3)CC2)ncc1Cl nan
CHEMBL3696737 138912 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.2 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOC3)CC2)ncc1Cl nan
25210551 186139 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL473703 186139 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
67508753 138339 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 358 2 1 5 3.2 Cc1cccnc1-c1cc(N2CCC3(CC2)CNC(=O)O3)ncc1Cl nan
CHEMBL3692726 138339 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 358 2 1 5 3.2 Cc1cccnc1-c1cc(N2CCC3(CC2)CNC(=O)O3)ncc1Cl nan
44186183 194847 1 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3ncc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497820 194847 1 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3ncc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
155549835 180667 0 None - 1 Mouse 8.5 pIC50 = 8.5 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 355 4 0 3 4.6 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1 10.1021/acs.jmedchem.9b00283
CHEMBL4539839 180667 0 None - 1 Mouse 8.5 pIC50 = 8.5 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 355 4 0 3 4.6 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1 10.1021/acs.jmedchem.9b00283
25226762 21845 0 None - 0 Mouse 8.5 pIC50 = 8.5 Binding
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assayAntagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209454 21845 0 None - 0 Mouse 8.5 pIC50 = 8.5 Binding
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assayAntagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
56675802 71887 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 409 3 1 7 2.8 Cn1c(-c2noc(N3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823863 71887 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 409 3 1 7 2.8 Cn1c(-c2noc(N3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
46891298 13776 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 433 3 0 5 4.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084736 13776 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 433 3 0 5 4.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
46891164 13390 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 422 3 0 4 5.0 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083284 13390 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 422 3 0 4 5.0 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
46891198 13578 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 476 3 0 4 5.7 C[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083914 13578 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 476 3 0 4 5.7 C[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
155515124 176708 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4441310 176708 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
44591268 186934 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474893 186934 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56682216 71662 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 490 5 1 7 3.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822294 71662 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 490 5 1 7 3.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44186480 194790 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497437 194790 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
67509209 138931 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 0 6 2.8 Cc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696756 138931 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 0 6 2.8 Cc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl nan
89736231 138965 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 5 2 5 3.0 CC(C)(O)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696789 138965 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 5 2 5 3.0 CC(C)(O)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56681960 71682 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CN(C)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822444 71682 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CN(C)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
56671927 71698 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 450 5 1 7 2.9 CCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822460 71698 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 450 5 1 7 2.9 CCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
1139102 81544 52 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031084 81544 52 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
90299612 117801 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 458 4 1 6 4.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262639 117801 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 458 4 1 6 4.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
45269254 203502 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 381 8 0 3 5.3 CCCC(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL564987 203502 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 381 8 0 3 5.3 CCCC(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
137521242 180815 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccc(O)cc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4543531 180815 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccc(O)cc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
44186310 194570 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495876 194570 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
156014827 184301 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 462 6 1 7 3.4 CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
CHEMBL4639888 184301 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 462 6 1 7 3.4 CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
155559226 181623 0 None - 1 Mouse 7.5 pIC50 = 7.5 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 375 6 0 4 4.0 C#CCOc1ccc(N2C(=O)[C@H](C)N(Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 10.1021/acs.jmedchem.9b00283
CHEMBL4562943 181623 0 None - 1 Mouse 7.5 pIC50 = 7.5 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 375 6 0 4 4.0 C#CCOc1ccc(N2C(=O)[C@H](C)N(Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 10.1021/acs.jmedchem.9b00283
89735905 138962 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 6 1 6 2.3 CS(=O)(=O)CCC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696786 138962 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 6 1 6 2.3 CS(=O)(=O)CCC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56673457 70941 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808453 70941 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
45268404 202889 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 368 7 1 3 4.5 CCCN(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL560932 202889 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 368 7 1 3 4.5 CCCN(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
137521219 178173 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 543 7 0 7 5.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4462158 178173 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 543 7 0 7 5.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
127048731 147557 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 476 3 0 5 5.8 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCCC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818511 147557 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 476 3 0 5 5.8 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCCC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
44591344 186423 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 514 6 2 2 7.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474301 186423 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 514 6 2 2 7.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56668542 71672 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 474 5 1 6 4.6 O=C(NCC1(N2CCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822304 71672 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 474 5 1 6 4.6 O=C(NCC1(N2CCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
46181999 71180 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813110 71180 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
67509452 138328 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.0 CS(=O)(=O)NC1CCN(c2cc(-c3ncccc3Cl)c(Cl)cn2)CC1 nan
CHEMBL3692715 138328 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.0 CS(=O)(=O)NC1CCN(c2cc(-c3ncccc3Cl)c(Cl)cn2)CC1 nan
67507985 138915 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)ncc1Cl nan
CHEMBL3696740 138915 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)ncc1Cl nan
67509117 138329 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.0 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(Cl)cn3)c(Cl)cn2)CC1 nan
CHEMBL3692716 138329 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.0 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(Cl)cn3)c(Cl)cn2)CC1 nan
56668540 71666 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 462 5 2 6 3.6 CC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822298 71666 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 462 5 2 6 3.6 CC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
44628525 71874 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 6 5.2 N#Cc1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823845 71874 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 6 5.2 N#Cc1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
56666699 70809 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 5 1 3 5.8 O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.024
CHEMBL1807232 70809 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 5 1 3 5.8 O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.024
44395035 133606 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 431 7 2 4 5.4 Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(OC(C)C)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL365472 133606 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 431 7 2 4 5.4 Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(OC(C)C)cc1 10.1016/j.bmcl.2012.04.104
127049409 147512 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 471 3 0 6 4.3 CN1CCN(C(=O)c2cc3c(s2)CCN(c2cccc(-c4nc5ccccc5n4C)c2)C3)CC1 10.1039/C6MD00020G
CHEMBL3817945 147512 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 471 3 0 6 4.3 CN1CCN(C(=O)c2cc3c(s2)CCN(c2cccc(-c4nc5ccccc5n4C)c2)C3)CC1 10.1039/C6MD00020G
134137166 149280 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 524 5 1 4 7.2 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2Cc3c(cnn3-c3ccccc3)C[C@H]21 10.1021/acs.jmedchem.6b01247
CHEMBL3890559 149280 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 524 5 1 4 7.2 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2Cc3c(cnn3-c3ccccc3)C[C@H]21 10.1021/acs.jmedchem.6b01247
25065894 199963 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523255 199963 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49862196 21767 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 400 4 0 4 4.5 Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209098 21767 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 400 4 0 4 4.5 Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
67508061 138970 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 396 6 0 6 1.9 COCCS(=O)(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696794 138970 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 396 6 0 6 1.9 COCCS(=O)(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56675802 71887 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 409 3 1 7 2.8 Cn1c(-c2noc(N3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823863 71887 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 409 3 1 7 2.8 Cn1c(-c2noc(N3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
67509809 138933 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 0 6 1.9 CS(=O)(=O)CCC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696758 138933 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 0 6 1.9 CS(=O)(=O)CCC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
89751036 138981 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 406 4 1 5 3.1 Cc1cc(F)cnc1-c1cc(N2CCN(C(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3696805 138981 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 406 4 1 5 3.1 Cc1cc(F)cnc1-c1cc(N2CCN(C(=O)CC(C)(C)O)CC2)ncc1Cl nan
89736245 138914 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 462 4 1 6 3.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCS(=O)(=O)CC3)CC2)ncc1Cl nan
CHEMBL3696739 138914 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 462 4 1 6 3.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCS(=O)(=O)CC3)CC2)ncc1Cl nan
56664980 71691 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 510 6 1 6 5.4 O=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822453 71691 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 510 6 1 6 5.4 O=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
45273570 203183 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 353 6 1 3 4.6 CCCC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL562811 203183 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 353 6 1 3 4.6 CCCC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
49862196 21767 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 400 4 0 4 4.5 Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209098 21767 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 400 4 0 4 4.5 Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
25065678 194529 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL495608 194529 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
44186480 194790 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497437 194790 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
152520884 183828 3 None - 0 Human 7.5 pIC50 = 7.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 499 5 1 3 6.0 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 10.1016/j.bmc.2020.115354
CHEMBL4632598 183828 3 None - 0 Human 7.5 pIC50 = 7.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 499 5 1 3 6.0 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 10.1016/j.bmc.2020.115354
67508699 138333 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 1 5 2.3 CS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3692720 138333 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 1 5 2.3 CS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
44591326 195063 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 557 7 3 3 7.1 CC(=O)Nc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL500172 195063 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 557 7 3 3 7.1 CC(=O)Nc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
56661561 71696 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822458 71696 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56682552 71861 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 467 3 1 5 5.7 O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823831 71861 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 467 3 1 5 5.7 O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
45273599 203236 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 380 9 1 5 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2OC)c1 10.1016/j.bmcl.2009.05.112
CHEMBL563112 203236 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 380 9 1 5 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2OC)c1 10.1016/j.bmcl.2009.05.112
56672043 71668 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 436 5 1 7 2.5 O=C(NCCN1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822300 71668 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 436 5 1 7 2.5 O=C(NCCN1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44628220 71880 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 420 3 1 6 3.3 CN1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823856 71880 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 420 3 1 6 3.3 CN1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
122185877 129537 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 436 5 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)Cc4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604619 129537 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 436 5 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)Cc4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
9869236 172226 1 None - 0 Human 5.5 pIC50 = 5.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL423915 172226 1 None - 0 Human 5.5 pIC50 = 5.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
67509251 138336 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 384 4 1 5 2.5 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(F)cn3)c(Cl)cn2)CC1 nan
CHEMBL3692723 138336 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 384 4 1 5 2.5 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(F)cn3)c(Cl)cn2)CC1 nan
44186376 198149 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
CHEMBL519219 198149 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
56683156 71164 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 71164 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
25167116 82297 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 379 4 3 4 3.5 COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10.1021/ml2002423
CHEMBL2043434 82297 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 379 4 3 4 3.5 COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10.1021/ml2002423
25065894 199963 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523255 199963 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
10334 7216 22 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
24905375 7216 22 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
CHEMBL485870 7216 22 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
89736453 138369 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 379 4 0 5 3.4 Cc1cccnc1-c1cc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692756 138369 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 379 4 0 5 3.4 Cc1cccnc1-c1cc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl nan
44591346 181067 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 551 6 2 3 7.7 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cnc4ccccc4c2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL454984 181067 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 551 6 2 3 7.7 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cnc4ccccc4c2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56679238 71862 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 4 1 5 5.8 CC(C)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823832 71862 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 4 1 5 5.8 CC(C)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56675801 71885 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 408 3 1 6 3.8 Cn1c(-c2noc(C3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823861 71885 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 408 3 1 6 3.8 Cn1c(-c2noc(C3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
90299611 117802 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5F)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262640 117802 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5F)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
70680398 87612 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152380 87612 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
44610687 71832 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823584 71832 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
127049057 147611 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 442 3 0 5 5.1 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCCC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3819236 147611 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 442 3 0 5 5.1 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCCC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
67508806 138344 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 331 2 0 5 2.2 CC(=O)N1CCN(c2ncc(Cl)c(-c3ncccc3C)n2)CC1 nan
CHEMBL3692731 138344 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 331 2 0 5 2.2 CC(=O)N1CCN(c2ncc(Cl)c(-c3ncccc3C)n2)CC1 nan
67508915 138939 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 3 0 5 2.5 Cc1cnc(-c2cc(N3CCN(S(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696763 138939 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 3 0 5 2.5 Cc1cnc(-c2cc(N3CCN(S(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
44591326 195063 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 557 7 3 3 7.1 CC(=O)Nc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL500172 195063 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 557 7 3 3 7.1 CC(=O)Nc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
56678643 71700 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 482 4 1 6 4.4 CN1CCc2ccccc2C1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822462 71700 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 482 4 1 6 4.4 CN1CCc2ccccc2C1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
45270102 202196 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 339 6 1 3 4.2 CCCC(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL552208 202196 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 339 6 1 3 4.2 CCCC(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
25065893 199728 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL522241 199728 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
20875737 194727 3 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497003 194727 3 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736160 138929 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 6 1 6 2.6 Cc1cccnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696754 138929 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 6 1 6 2.6 Cc1cccnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
67508875 138337 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 390 3 0 6 3.7 Cc1cccnc1-c1cc(N2CCN(c3ccc(C#N)cn3)CC2)ncc1Cl nan
CHEMBL3692724 138337 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 390 3 0 6 3.7 Cc1cccnc1-c1cc(N2CCN(c3ccc(C#N)cn3)CC2)ncc1Cl nan
56681960 71682 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CN(C)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822444 71682 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CN(C)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
155559162 181573 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 418 5 2 8 2.7 CC(O)c1ccnn1-c1nnc(N2CCC(C(=O)NC3CCCCC3C)CC2)s1 10.1016/j.ejmech.2019.03.057
CHEMBL4562011 181573 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 418 5 2 8 2.7 CC(O)c1ccnn1-c1nnc(N2CCC(C(=O)NC3CCCCC3C)CC2)s1 10.1016/j.ejmech.2019.03.057
56672546 71879 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 2 6 2.9 O=C(NC1CCNCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823855 71879 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 2 6 2.9 O=C(NC1CCNCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
155559162 181573 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 418 5 2 8 2.7 CC(O)c1ccnn1-c1nnc(N2CCC(C(=O)NC3CCCCC3C)CC2)s1 10.1016/j.ejmech.2019.03.057
CHEMBL4562011 181573 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 418 5 2 8 2.7 CC(O)c1ccnn1-c1nnc(N2CCC(C(=O)NC3CCCCC3C)CC2)s1 10.1016/j.ejmech.2019.03.057
127048425 147584 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 535 4 0 7 3.6 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(S(C)(=O)=O)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818879 147584 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 535 4 0 7 3.6 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(S(C)(=O)=O)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
44186314 194921 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498457 194921 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186182 194525 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 404 4 0 4 5.5 N#Cc1ccc(C2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1 10.1021/jm900309j
CHEMBL495579 194525 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 404 4 0 4 5.5 N#Cc1ccc(C2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1 10.1021/jm900309j
155532735 178548 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 330 3 0 2 3.9 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4467625 178548 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 330 3 0 2 3.9 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
44186375 192045 1 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL485869 192045 1 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508277 138371 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 365 4 0 5 3.1 CS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3692758 138371 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 365 4 0 5 3.1 CS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
89736384 138966 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 5 1 5 2.7 CCS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696790 138966 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 5 1 5 2.7 CCS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56664981 71699 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 468 4 2 6 4.1 O=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822461 71699 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 468 4 2 6 4.1 O=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44610687 71832 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823584 71832 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56683492 70890 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 398 7 1 3 2.8 CCCCCCNC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808277 70890 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 398 7 1 3 2.8 CCCCCCNC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
90656302 117808 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 425 4 0 7 4.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC(C)C)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262646 117808 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 425 4 0 7 4.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC(C)C)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
44186184 194872 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498017 194872 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
155555575 181232 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 320 3 0 2 4.1 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CC1CCCCC1 10.1021/acs.jmedchem.9b00283
CHEMBL4553897 181232 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 320 3 0 2 4.1 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CC1CCCCC1 10.1021/acs.jmedchem.9b00283
44186184 194872 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498017 194872 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
53387030 71706 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1822468 71706 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
89736423 138367 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 6 1 6 2.7 Cc1cccnc1-c1cc(N2CCC(NCCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692754 138367 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 6 1 6 2.7 Cc1cccnc1-c1cc(N2CCC(NCCS(C)(=O)=O)CC2)ncc1Cl nan
24776445 10769 115 None - 1 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.6b01247
4227 10769 115 None - 1 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.6b01247
6975 10769 115 None - 1 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.6b01247
CHEMBL473417 10769 115 None - 1 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.6b01247
DB08828 10769 115 None - 1 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.6b01247
89736269 138916 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 493 4 1 8 3.2 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCN(c4ccc(O)nn4)CC3)CC2)ncc1Cl nan
CHEMBL3696741 138916 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 493 4 1 8 3.2 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCN(c4ccc(O)nn4)CC3)CC2)ncc1Cl nan
56671927 71698 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 450 5 1 7 2.9 CCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822460 71698 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 450 5 1 7 2.9 CCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
137521179 182533 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 513 6 1 6 5.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(N)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4583477 182533 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 513 6 1 6 5.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(N)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
137521197 178978 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccccn5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4473720 178978 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccccn5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
25067132 194532 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495620 194532 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49840814 88252 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Antagonist activity at human Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assayAntagonist activity at human Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160067 88252 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Antagonist activity at human Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assayAntagonist activity at human Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
25211578 186608 0 None - 0 Mouse 8.4 pIC50 = 8.4 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 10.1016/j.bmcl.2008.11.096
CHEMBL474507 186608 0 None - 0 Mouse 8.4 pIC50 = 8.4 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 10.1016/j.bmcl.2008.11.096
56669676 71175 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813106 71175 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
10333 10515 76 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2020.115354
49848070 10515 76 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2020.115354
CHEMBL2142592 10515 76 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2020.115354
DB12550 10515 76 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2020.115354
2952255 13944 10 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
CHEMBL1085503 13944 10 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
10330 10239 52 None - 1 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
6878030 10239 52 None - 1 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL515916 10239 52 None - 1 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
44250105 203358 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL563928 203358 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)cc2)c1 10.1016/j.bmcl.2009.05.112
69045594 138954 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 4 1 5 2.7 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Br)nc1 nan
CHEMBL3696778 138954 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 4 1 5 2.7 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Br)nc1 nan
89736119 138969 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 5 1 5 3.1 COCC(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
CHEMBL3696793 138969 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 5 1 5 3.1 COCC(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
89736167 138364 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 444 3 0 6 4.0 Cc1cccnc1-c1cc(N2CCN(c3ncc(Br)cn3)CC2)ncc1Cl nan
CHEMBL3692751 138364 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 444 3 0 6 4.0 Cc1cccnc1-c1cc(N2CCN(c3ncc(Br)cn3)CC2)ncc1Cl nan
49862237 21779 0 None - 3 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 395 6 0 5 4.3 COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209157 21779 0 None - 3 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 395 6 0 5 4.3 COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 10.1016/j.bmcl.2010.06.033
67508369 138379 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 489 6 2 5 4.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCC3C(=O)Nc4ccccc43)CC2)ncc1Cl nan
CHEMBL3692766 138379 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 489 6 2 5 4.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCC3C(=O)Nc4ccccc43)CC2)ncc1Cl nan
56675304 71690 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 503 5 1 7 3.7 CN1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822452 71690 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 503 5 1 7 3.7 CN1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
70680398 87612 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysisInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysis
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152380 87612 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysisInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysis
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
56673505 70884 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 355 2 0 3 2.1 CC(C)(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808159 70884 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 355 2 0 3 2.1 CC(C)(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
71451240 87601 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.3 C[C@H]1C/C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O 10.1021/ml300172p
CHEMBL2152364 87601 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.3 C[C@H]1C/C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O 10.1021/ml300172p
71451241 87603 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 440 6 2 4 3.6 O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCCCC(F)(F)F 10.1021/ml300172p
CHEMBL2152370 87603 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 440 6 2 4 3.6 O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCCCC(F)(F)F 10.1021/ml300172p
71451243 87608 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152376 87608 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
44186184 194872 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498017 194872 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508089 138338 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 372 2 0 5 3.5 Cc1cccnc1-c1cc(N2CCC3(CC2)CN(C)C(=O)O3)ncc1Cl nan
CHEMBL3692725 138338 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 372 2 0 5 3.5 Cc1cccnc1-c1cc(N2CCC3(CC2)CN(C)C(=O)O3)ncc1Cl nan
168293439 198912 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 632 8 3 11 5.1 Cc1c(-c2cnn(C)c2)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5203629 198912 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 632 8 3 11 5.1 Cc1c(-c2cnn(C)c2)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
122185870 129533 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604612 129533 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
155538962 179566 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1cnc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2019.03.057
CHEMBL4513409 179566 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1cnc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2019.03.057
122185869 129532 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4Cl)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604611 129532 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4Cl)c3)cc2s1 10.1016/j.bmcl.2015.06.049
90656292 117795 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 440 5 1 7 2.7 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N(C)CCO)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262631 117795 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 440 5 1 7 2.7 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N(C)CCO)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
90286320 117812 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 369 3 1 6 3.1 Cc1cnc(-c2cc(N3CCn4cc(CO)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262650 117812 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 369 3 1 6 3.1 Cc1cnc(-c2cc(N3CCn4cc(CO)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
44628452 71872 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823843 71872 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
6404568 194602 12 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496013 194602 12 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
89736140 138341 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 330 2 0 4 2.8 CC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692728 138341 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 330 2 0 4 2.8 CC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
155517391 176954 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 1 9 3.9 Cc1ccc(OCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4444651 176954 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 1 9 3.9 Cc1ccc(OCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56668542 71672 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 474 5 1 6 4.6 O=C(NCC1(N2CCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822304 71672 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 474 5 1 6 4.6 O=C(NCC1(N2CCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56683157 71173 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813104 71173 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56669677 71177 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813108 71177 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
127039452 143470 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 514 6 3 4 6.6 O=C(NC(=O)c1ccc(OCc2ccc(F)cc2)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 10.1039/C5MD00092K
CHEMBL3740447 143470 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 514 6 3 4 6.6 O=C(NC(=O)c1ccc(OCc2ccc(F)cc2)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 10.1039/C5MD00092K
68747277 83268 2 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 500 8 1 7 5.2 Cc1ccc(-c2ncc(CN3CCOCC3)s2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059872 83268 2 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 500 8 1 7 5.2 Cc1ccc(-c2ncc(CN3CCOCC3)s2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
44186313 194765 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497266 194765 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508663 138388 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 478 4 1 7 1.9 Cc1cccnc1-c1cc(N2CCC(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ncc1Cl nan
CHEMBL3692774 138388 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 478 4 1 7 1.9 Cc1cccnc1-c1cc(N2CCC(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ncc1Cl nan
89736380 138919 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 1 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCCC[C@H]3CO)CC2)ncc1Cl nan
CHEMBL3696744 138919 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 1 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCCC[C@H]3CO)CC2)ncc1Cl nan
44628618 71869 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 391 3 1 5 4.1 O=C(NC1CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823840 71869 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 391 3 1 5 4.1 O=C(NC1CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
90656299 117805 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 494 4 1 6 5.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)c(F)c5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262643 117805 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 494 4 1 6 5.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)c(F)c5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
56675305 71692 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822454 71692 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
6404568 194602 12 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496013 194602 12 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
57538993 82295 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 392 3 2 5 2.9 CN1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043432 82295 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 392 3 2 5 2.9 CN1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
89736028 138349 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 387 5 1 5 2.8 Cc1cccnc1-c1cc(N2CCC(NC(=O)CN(C)C)CC2)ncc1Cl nan
CHEMBL3692736 138349 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 387 5 1 5 2.8 Cc1cccnc1-c1cc(N2CCC(NC(=O)CN(C)C)CC2)ncc1Cl nan
71453058 87613 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysisInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysis
ChEMBL 489 5 2 5 4.2 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cn2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152381 87613 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysisInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysis
ChEMBL 489 5 2 5 4.2 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cn2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
137521236 181993 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccnc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4571341 181993 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccnc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
127052154 147563 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 472 3 1 6 4.5 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818648 147563 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 472 3 1 6 4.5 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
156017664 184650 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 442 5 1 6 3.4 CN(C(=O)c1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
CHEMBL4644469 184650 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 442 5 1 6 3.4 CN(C(=O)c1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
67379418 83269 3 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 401 6 1 5 5.3 Cc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059873 83269 3 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 401 6 1 5 5.3 Cc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
89736179 138928 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 317 2 1 4 3.4 Cc1cnc(-c2cc(N3CCC(O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696753 138928 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 317 2 1 4 3.4 Cc1cnc(-c2cc(N3CCC(O)CC3)ncc2Cl)c(C)c1 nan
73729049 118934 4 None - 0 Human 6.4 pIC50 = 6.4 Binding
Antagonist activity at smoothened (unknown origin)Antagonist activity at smoothened (unknown origin)
ChEMBL 454 4 0 6 4.9 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccc(Cl)cc23)CCN1c1ccc(C#N)cn1 10.1021/jm500338n
CHEMBL3290331 118934 4 None - 0 Human 6.4 pIC50 = 6.4 Binding
Antagonist activity at smoothened (unknown origin)Antagonist activity at smoothened (unknown origin)
ChEMBL 454 4 0 6 4.9 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccc(Cl)cc23)CCN1c1ccc(C#N)cn1 10.1021/jm500338n
CHEMBL1808447 70935 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 480 4 1 3 4.8 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@H](c4ccccc4)C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
90299614 117804 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)cc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262642 117804 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)cc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
20875737 194727 3 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497003 194727 3 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56668936 71889 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 1 6 3.4 O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823865 71889 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 1 6 3.4 O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
67266280 82296 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 407 3 3 5 3.3 CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043433 82296 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 407 3 3 5 3.3 CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
134155965 158008 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 458 4 2 3 6.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4[nH]3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3960082 158008 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 458 4 2 3 6.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4[nH]3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
56669675 71171 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813102 71171 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
44395109 73052 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 524 8 2 5 6.2 Cc1ccc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL184712 73052 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 524 8 2 5 6.2 Cc1ccc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
22291085 73055 1 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 522 8 2 6 5.3 Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL184721 73055 1 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 522 8 2 6 5.3 Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
56668711 71663 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 481 5 1 5 5.7 O=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822295 71663 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 481 5 1 5 5.7 O=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
45273591 202534 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 350 8 1 4 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccncc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL557518 202534 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 350 8 1 4 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccncc2)c1 10.1016/j.bmcl.2009.05.112
56668924 71846 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 436 3 1 6 4.7 Cn1c(-c2noc(C3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823616 71846 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 436 3 1 6 4.7 Cn1c(-c2noc(C3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
155554983 181141 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 300 3 0 1 4.2 C[C@H]1CN(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4551454 181141 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 300 3 0 1 4.2 C[C@H]1CN(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
127053107 147537 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 601 4 0 6 7.1 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818296 147537 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 601 4 0 6 7.1 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
24776445 10769 115 None - 1 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
4227 10769 115 None - 1 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
6975 10769 115 None - 1 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
CHEMBL473417 10769 115 None - 1 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
DB08828 10769 115 None - 1 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
155547338 180358 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
CHEMBL4532846 180358 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
56678641 71680 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 488 5 1 6 5.0 O=C(NCC1(N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822442 71680 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 488 5 1 6 5.0 O=C(NCC1(N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56658050 71684 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 6 2 6 4.1 CCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822446 71684 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 6 2 6 4.1 CCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
56661560 71681 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 476 7 1 6 4.8 CCN(CC)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822443 71681 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 476 7 1 6 4.8 CCN(CC)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
25065064 194569 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495875 194569 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
20885871 169301 6 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
CHEMBL4167751 169301 6 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
155523014 177518 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4cccnc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4452315 177518 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4cccnc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56663079 70938 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 438 3 1 3 3.7 Cc1c(Cl)cccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808450 70938 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 438 3 1 3 3.7 Cc1c(Cl)cccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
20885871 169301 6 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
CHEMBL4167751 169301 6 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
56659806 70805 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 497 5 1 5 3.8 COc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1807228 70805 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 497 5 1 5 3.8 COc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1 10.1016/j.bmcl.2011.06.024
69046649 138973 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 2 5 2.5 Cc1cnc(-c2nc(N3CCC(NC(=O)CO)CC3)ccc2Cl)c(C)c1 nan
CHEMBL3696797 138973 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 2 5 2.5 Cc1cnc(-c2nc(N3CCC(NC(=O)CO)CC3)ccc2Cl)c(C)c1 nan
56678643 71700 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 482 4 1 6 4.4 CN1CCc2ccccc2C1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822462 71700 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 482 4 1 6 4.4 CN1CCc2ccccc2C1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44629155 71860 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823830 71860 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56658550 71830 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nnc(-c3ccc4ccccc4n3)o2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823580 71830 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nnc(-c3ccc4ccccc4n3)o2)CC1 10.1016/j.bmcl.2011.07.031
134152501 160067 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 511 4 1 3 7.5 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2Cc3c(c4ccccc4n3C)C[C@H]21 10.1021/acs.jmedchem.6b01247
CHEMBL3977846 160067 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 511 4 1 3 7.5 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2Cc3c(c4ccccc4n3C)C[C@H]21 10.1021/acs.jmedchem.6b01247
56683156 71164 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 71164 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
44186430 194684 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496604 194684 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56668541 71671 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 518 5 1 7 4.6 O=C(NCC1(N2CCOCC2)CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822303 71671 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 518 5 1 7 4.6 O=C(NCC1(N2CCOCC2)CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56658697 71855 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 399 3 1 5 4.7 O=C(Nc1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823824 71855 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 399 3 1 5 4.7 O=C(Nc1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56658575 71884 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 3 1 5 4.8 O=C(NC1CCC(F)(F)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823860 71884 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 3 1 5 4.8 O=C(NC1CCC(F)(F)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56666542 70940 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 476 3 1 3 4.2 O=C(Nc1ccc(F)c(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808452 70940 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 476 3 1 3 4.2 O=C(Nc1ccc(F)c(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56679122 71882 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 3 1 6 3.1 O=C(NC1CC[S+]([O-])CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823858 71882 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 3 1 6 3.1 O=C(NC1CC[S+]([O-])CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44186314 194921 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498457 194921 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
156021677 184822 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 575 6 1 3 7.6 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(-c3ccccc3)cc2)CC1 10.1016/j.bmc.2020.115354
CHEMBL4647112 184822 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 575 6 1 3 7.6 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(-c3ccccc3)cc2)CC1 10.1016/j.bmc.2020.115354
89736215 138922 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 411 4 1 7 3.1 Cc1cccnc1-c1cc(N2CCC(C(=O)Nc3cnn(C)n3)CC2)ncc1Cl nan
CHEMBL3696747 138922 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 411 4 1 7 3.1 Cc1cccnc1-c1cc(N2CCC(C(=O)Nc3cnn(C)n3)CC2)ncc1Cl nan
44591290 186155 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 487 6 2 3 6.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473892 186155 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 487 6 2 3 6.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56675307 71695 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 434 5 1 6 3.7 CCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822457 71695 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 434 5 1 6 3.7 CCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56672544 71863 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 424 3 1 6 4.6 N#Cc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823833 71863 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 424 3 1 6 4.6 N#Cc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56672043 71668 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 436 5 1 7 2.5 O=C(NCCN1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822300 71668 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 436 5 1 7 2.5 O=C(NCCN1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44186430 194684 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496604 194684 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
53387681 71705 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 492 5 1 8 3.3 Cn1c(-c2noc(N3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822467 71705 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 492 5 1 8 3.3 Cn1c(-c2noc(N3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
136210511 81572 23 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031290 81572 23 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
10334 7216 22 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
24905375 7216 22 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
CHEMBL485870 7216 22 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
44250034 202993 12 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2OC)c1 10.1016/j.bmcl.2009.05.112
CHEMBL561533 202993 12 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2OC)c1 10.1016/j.bmcl.2009.05.112
68778068 83254 1 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 434 6 2 4 5.8 Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059859 83254 1 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 434 6 2 4 5.8 Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70684298 83261 3 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059866 83261 3 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
25166913 8584 58 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 10.1021/ml2002423
5304 8584 58 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 10.1021/ml2002423
8201 8584 58 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 10.1021/ml2002423
CHEMBL2043437 8584 58 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 10.1021/ml2002423
DB11978 8584 58 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 10.1021/ml2002423
24776445 10769 115 None - 1 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/ml2002423
4227 10769 115 None - 1 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/ml2002423
6975 10769 115 None - 1 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/ml2002423
CHEMBL473417 10769 115 None - 1 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/ml2002423
DB08828 10769 115 None - 1 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/ml2002423
2880709 82293 12 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 371 3 2 4 4.3 O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCCO2 10.1021/ml2002423
CHEMBL2043430 82293 12 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 371 3 2 4 4.3 O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCCO2 10.1021/ml2002423
57539031 82298 0 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 417 3 3 3 4.5 CN1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043435 82298 0 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 417 3 3 3 4.5 CN1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
49862236 21778 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 380 5 0 5 3.7 COc1cccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209156 21778 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 380 5 0 5 3.7 COc1cccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
24776445 10769 115 None - 1 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C6MD00020G
4227 10769 115 None - 1 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C6MD00020G
6975 10769 115 None - 1 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C6MD00020G
CHEMBL473417 10769 115 None - 1 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C6MD00020G
DB08828 10769 115 None - 1 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C6MD00020G
46891299 13777 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 451 4 0 5 4.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084737 13777 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 451 4 0 5 4.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
46890992 13809 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 428 3 0 4 4.9 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1084837 13809 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 428 3 0 4 4.9 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
46871826 14067 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1086045 14067 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
122185868 129531 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assayInhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assay
ChEMBL 422 4 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604610 129531 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assayInhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assay
ChEMBL 422 4 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
56956240 114294 60 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human SMO (181 to 787 residues) expressed in human HEK293 cells assessed as radioactivity incubated for 2 hrs in presence of H3-labeled smo antagonist by ligand-displacement assayBinding affinity to human SMO (181 to 787 residues) expressed in human HEK293 cells assessed as radioactivity incubated for 2 hrs in presence of H3-labeled smo antagonist by ligand-displacement assay
ChEMBL 436 5 0 6 2.5 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 10.1016/j.ejmech.2021.113268
CHEMBL3186656 114294 60 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human SMO (181 to 787 residues) expressed in human HEK293 cells assessed as radioactivity incubated for 2 hrs in presence of H3-labeled smo antagonist by ligand-displacement assayBinding affinity to human SMO (181 to 787 residues) expressed in human HEK293 cells assessed as radioactivity incubated for 2 hrs in presence of H3-labeled smo antagonist by ligand-displacement assay
ChEMBL 436 5 0 6 2.5 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 10.1016/j.ejmech.2021.113268
CHEMBL5276628 200687 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Antagonist activity at SMO D473H mutant (unknown origin) expressed in mouse TM3 cells coexpressing Gli-luc reporter gene assessed as inhibition of Hh-Ag1.5 induced Gli luciferase activity incubated for 48 hrs by luminescence assayAntagonist activity at SMO D473H mutant (unknown origin) expressed in mouse TM3 cells coexpressing Gli-luc reporter gene assessed as inhibition of Hh-Ag1.5 induced Gli luciferase activity incubated for 48 hrs by luminescence assay
ChEMBL 314 3 0 2 3.7 CC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1016/j.ejmech.2022.114867
122185873 129534 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 440 4 2 5 5.4 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(F)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604615 129534 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 440 4 2 5 5.4 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(F)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
58348067 87596 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152357 87596 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
71453057 87606 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1cccc(Cl)c1 10.1021/ml300172p
CHEMBL2152373 87606 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1cccc(Cl)c1 10.1021/ml300172p
71461979 87607 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 460 5 2 4 4.3 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](C2CCCCC2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152375 87607 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 460 5 2 4 4.3 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](C2CCCCC2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
71460284 87610 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 472 5 2 4 4.2 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(F)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152379 87610 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 472 5 2 4 4.2 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(F)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
11762419 40768 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL142450 40768 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
155554445 181416 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2019.03.057
CHEMBL4558043 181416 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2019.03.057
56678641 71680 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 488 5 1 6 5.0 O=C(NCC1(N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822442 71680 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 488 5 1 6 5.0 O=C(NCC1(N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56675304 71690 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 503 5 1 7 3.7 CN1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822452 71690 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 503 5 1 7 3.7 CN1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
44629232 71858 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 413 3 1 5 5.0 Cc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823828 71858 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 413 3 1 5 5.0 Cc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56680280 70812 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 470 4 1 6 2.3 O=C(Nc1ccnn1-c1ccccc1)N1CCN2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807235 70812 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 470 4 1 6 2.3 O=C(Nc1ccnn1-c1ccccc1)N1CCN2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
67508217 138335 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 418 4 1 5 3.1 CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3F)c(Cl)cn2)CC1 nan
CHEMBL3692722 138335 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 418 4 1 5 3.1 CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3F)c(Cl)cn2)CC1 nan
89736227 138979 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 2 5 3.5 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3696803 138979 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 2 5 3.5 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CC(C)(C)O)CC2)ncc1Cl nan
67508192 138347 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 5 0 5 2.8 COCCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692734 138347 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 5 0 5 2.8 COCCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
89735953 138396 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOCC3)CC2)ncc1Cl nan
CHEMBL3692781 138396 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOCC3)CC2)ncc1Cl nan
134152007 160123 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 556 5 1 5 7.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccc(OC(F)(F)F)cc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3978393 160123 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 556 5 1 5 7.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccc(OC(F)(F)F)cc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
44629071 71686 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 502 6 2 6 5.4 O=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822448 71686 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 502 6 2 6 5.4 O=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56669674 71170 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813101 71170 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
90656291 117794 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 436 5 1 6 3.8 Cc1cnc(-c2cc(N3CCn4cc(C(=O)NCC5CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262630 117794 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 436 5 1 6 3.8 Cc1cnc(-c2cc(N3CCn4cc(C(=O)NCC5CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
56671926 71689 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 518 6 1 7 4.6 COC1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822451 71689 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 518 6 1 7 4.6 COC1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
25065681 199455 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521900 199455 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89735998 138370 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(NC(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3692757 138370 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(NC(=O)CC(C)(C)O)CC2)ncc1Cl nan
69047949 138963 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 373 5 1 5 2.4 CN(C)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696787 138963 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 373 5 1 5 2.4 CN(C)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
154708544 180653 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 300 2 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4539606 180653 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 300 2 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccccc1 10.1021/acs.jmedchem.9b00283
44591345 179549 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 568 6 2 2 8.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(c2ccccc2)C(F)(F)F)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL451194 179549 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 568 6 2 2 8.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(c2ccccc2)C(F)(F)F)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56661560 71681 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 476 7 1 6 4.8 CCN(CC)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822443 71681 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 476 7 1 6 4.8 CCN(CC)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
44186376 198149 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
CHEMBL519219 198149 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
89736348 138948 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 2 5 2.5 Cc1cnc(-c2cc(N3CCC(NC(=O)CO)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696772 138948 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 2 5 2.5 Cc1cnc(-c2cc(N3CCC(NC(=O)CO)CC3)ncc2Cl)c(C)c1 nan
155534285 178713 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4cnccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4470299 178713 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4cnccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
90656296 117798 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 480 5 0 7 3.9 COC[C@H]1CCCN1C(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3262636 117798 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 480 5 0 7 3.9 COC[C@H]1CCCN1C(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
127052485 147634 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 499 4 1 6 6.2 Cn1c(-c2cc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3819559 147634 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 499 4 1 6 6.2 Cn1c(-c2cc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
156010447 183823 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 447 6 1 6 3.5 COc1ccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3Nc3ccnn3C)CC2)cc1 10.1016/j.bmc.2020.115354
CHEMBL4632537 183823 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 447 6 1 6 3.5 COc1ccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3Nc3ccnn3C)CC2)cc1 10.1016/j.bmc.2020.115354
155512546 176437 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 1 8 4.1 Cc1ccc(CCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4437383 176437 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 1 8 4.1 Cc1ccc(CCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
10951208 41389 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL142972 41389 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
44591345 179549 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 568 6 2 2 8.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(c2ccccc2)C(F)(F)F)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL451194 179549 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 568 6 2 2 8.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(c2ccccc2)C(F)(F)F)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
89736246 138366 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 5 1 5 2.9 Cc1cccnc1-c1cc(N2CCC(CNS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692753 138366 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 5 1 5 2.9 Cc1cccnc1-c1cc(N2CCC(CNS(C)(=O)=O)CC2)ncc1Cl nan
67508530 138937 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 1 5 2.1 Cc1cnc(-c2cc(N3CCN(C(=O)CO)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696761 138937 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 1 5 2.1 Cc1cnc(-c2cc(N3CCN(C(=O)CO)CC3)ncc2Cl)c(C)c1 nan
137521182 177772 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 647 9 1 7 7.2 COc1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1 10.1021/acs.jmedchem.8b01283
CHEMBL4456292 177772 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 647 9 1 7 7.2 COc1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1 10.1021/acs.jmedchem.8b01283
155515079 176703 0 None - 1 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 321 4 0 3 4.0 C[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4441183 176703 0 None - 1 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 321 4 0 3 4.0 C[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
56681961 71685 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 462 6 2 6 4.5 CC(C)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822447 71685 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 462 6 2 6 4.5 CC(C)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
69045593 138953 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 381 4 1 6 2.0 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1 nan
CHEMBL3696777 138953 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 381 4 1 6 2.0 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1 nan
134152881 159946 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 490 5 1 7 5.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)o3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3976847 159946 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 490 5 1 7 5.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)o3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
97046899 182650 1 None - 1 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 314 3 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4586057 182650 1 None - 1 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 314 3 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
44186115 194789 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497436 194789 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
24797889 185870 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 504 6 2 3 7.1 Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 10.1016/j.bmcl.2008.11.096
CHEMBL471672 185870 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 504 6 2 3 7.1 Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 10.1016/j.bmcl.2008.11.096
53387681 71705 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 492 5 1 8 3.3 Cn1c(-c2noc(N3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822467 71705 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 492 5 1 8 3.3 Cn1c(-c2noc(N3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
44186313 194765 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497266 194765 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
24776445 10769 115 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C5MD00092K
4227 10769 115 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C5MD00092K
6975 10769 115 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C5MD00092K
CHEMBL473417 10769 115 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C5MD00092K
DB08828 10769 115 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C5MD00092K
67509257 138332 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 4 1 5 2.9 Cc1cnc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3692719 138332 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 4 1 5 2.9 Cc1cnc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
56956240 114294 60 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 5 0 6 2.5 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3186656 114294 60 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 5 0 6 2.5 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
56676511 71183 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813113 71183 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
56664981 71699 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 468 4 2 6 4.1 O=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822461 71699 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 468 4 2 6 4.1 O=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
70680398 87612 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152380 87612 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
56665495 71836 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.5 CC1(c2nc(-c3ccc4ccccc4n3)no2)CCN(C(=O)Nc2ccccc2Cl)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823588 71836 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.5 CC1(c2nc(-c3ccc4ccccc4n3)no2)CCN(C(=O)Nc2ccccc2Cl)CC1 10.1016/j.bmcl.2011.07.031
71461978 87600 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 544 7 2 4 5.6 O=C(C[C@@H]1C/C=C/C[C@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152362 87600 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 544 7 2 4 5.6 O=C(C[C@@H]1C/C=C/C[C@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
44186375 192045 1 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL485869 192045 1 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67378301 82827 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 436 6 2 6 4.6 Cc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2057337 82827 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 436 6 2 6 4.6 Cc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
56669951 70945 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1808457 70945 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
56662003 71835 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.7 C[C@@H]1C[C@H](c2nc(-c3ccc4ccccc4n3)no2)CCN1C(=O)Nc1ccccc1Cl 10.1016/j.bmcl.2011.07.031
CHEMBL1823587 71835 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.7 C[C@@H]1C[C@H](c2nc(-c3ccc4ccccc4n3)no2)CCN1C(=O)Nc1ccccc1Cl 10.1016/j.bmcl.2011.07.031
56673644 70807 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 471 4 1 6 2.5 Cn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1 10.1016/j.bmcl.2011.06.024
CHEMBL1807230 70807 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 471 4 1 6 2.5 Cn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1 10.1016/j.bmcl.2011.06.024
56964692 81559 19 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 555 8 3 6 6.1 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031268 81559 19 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 555 8 3 6 6.1 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
89735838 138373 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 447 5 1 5 4.5 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3(c4ccccn4)CC3)CC2)ncc1Cl nan
CHEMBL3692760 138373 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 447 5 1 5 4.5 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3(c4ccccn4)CC3)CC2)ncc1Cl nan
163215598 196738 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 631 8 4 11 5.1 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Nc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5170628 196738 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 631 8 4 11 5.1 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Nc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
56675303 71683 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 420 4 2 6 3.4 NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822445 71683 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 420 4 2 6 3.4 NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
45270118 201920 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 351 8 1 5 3.6 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ncccn2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL550191 201920 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 351 8 1 5 3.6 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ncccn2)c1 10.1016/j.bmcl.2009.05.112
56661562 71697 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822459 71697 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
10328 8068 66 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
442972 8068 66 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
CHEMBL254129 8068 66 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
122185868 129531 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 422 4 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604610 129531 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 422 4 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
49862236 21778 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 380 5 0 5 3.7 COc1cccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209156 21778 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 380 5 0 5 3.7 COc1cccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
89736442 138372 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCc3ncc[nH]3)CC2)ncc1Cl nan
CHEMBL3692759 138372 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCc3ncc[nH]3)CC2)ncc1Cl nan
56665494 71834 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.7 C[C@H]1C[C@H](c2nc(-c3ccc4ccccc4n3)no2)CCN1C(=O)Nc1ccccc1Cl 10.1016/j.bmcl.2011.07.031
CHEMBL1823586 71834 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.7 C[C@H]1C[C@H](c2nc(-c3ccc4ccccc4n3)no2)CCN1C(=O)Nc1ccccc1Cl 10.1016/j.bmcl.2011.07.031
18526613 194603 4 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496014 194603 4 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
67508477 138941 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 1 5 2.4 Cc1cnc(-c2cc(N3CCN(C(=O)CCO)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696765 138941 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 1 5 2.4 Cc1cnc(-c2cc(N3CCN(C(=O)CCO)CC3)ncc2Cl)c(C)c1 nan
56661561 71696 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822458 71696 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56679828 71168 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813099 71168 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
90656306 117816 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 426 5 1 7 3.2 COCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3262654 117816 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 426 5 1 7 3.2 COCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
44186312 194571 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495877 194571 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186115 194789 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497436 194789 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
89751017 138978 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 405 5 1 5 2.9 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CN(C)C)CC2)ncc1Cl nan
CHEMBL3696802 138978 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 405 5 1 5 2.9 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CN(C)C)CC2)ncc1Cl nan
44186375 192045 1 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL485869 192045 1 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736283 138378 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 477 5 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)ncc1Cl nan
CHEMBL3692765 138378 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 477 5 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)ncc1Cl nan
56675420 71669 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 464 5 1 7 3.3 CC(C)(CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCOCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822301 71669 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 464 5 1 7 3.3 CC(C)(CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCOCC1 10.1016/j.bmcl.2011.07.030
56679827 71167 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813098 71167 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56662176 71859 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 2 0 5 5.0 O=C(N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCCc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823829 71859 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 2 0 5 5.0 O=C(N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCCc2ccccc21 10.1016/j.bmcl.2011.07.031
56683157 71173 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813104 71173 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56673641 70801 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccc(Cl)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807224 70801 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccc(Cl)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
45272656 202428 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(F)c2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL556427 202428 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(F)c2)c1 10.1016/j.bmcl.2009.05.112
156009810 183838 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 524 5 1 4 5.8 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(C#N)cc2)CC1 10.1016/j.bmc.2020.115354
CHEMBL4632758 183838 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 524 5 1 4 5.8 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(C#N)cc2)CC1 10.1016/j.bmc.2020.115354
155568965 182964 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 480 7 2 9 3.6 CC1CCCCC1NC(=O)C1CCN(c2nnc(-n3nccc3CNc3cccnc3)s2)CC1 10.1016/j.ejmech.2019.03.057
CHEMBL4593367 182964 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 480 7 2 9 3.6 CC1CCCCC1NC(=O)C1CCN(c2nnc(-n3nccc3CNc3cccnc3)s2)CC1 10.1016/j.ejmech.2019.03.057
44186429 194683 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496603 194683 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25066518 194794 2 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497534 194794 2 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56676510 71166 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813097 71166 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56682417 71886 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 8 2.1 Cn1c(-c2noc(C3CCN(C(=O)NC4CCS(=O)(=O)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823862 71886 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 8 2.1 Cn1c(-c2noc(C3CCN(C(=O)NC4CCS(=O)(=O)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
90299647 117791 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 411 4 0 7 3.8 CCOC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3262627 117791 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 411 4 0 7 3.8 CCOC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
20875737 194727 3 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497003 194727 3 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56675419 71664 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 435 5 2 6 3.7 O=C(NCC1(CO)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822296 71664 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 435 5 2 6 3.7 O=C(NCC1(CO)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
25065681 199455 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521900 199455 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25211577 186601 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 506 6 2 3 7.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474503 186601 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 506 6 2 3 7.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
25211578 186608 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 10.1016/j.bmcl.2008.11.096
CHEMBL474507 186608 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 10.1016/j.bmcl.2008.11.096
56683159 71181 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813111 71181 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
24776445 10769 115 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
4227 10769 115 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
6975 10769 115 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
CHEMBL473417 10769 115 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
DB08828 10769 115 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
56682418 71888 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 445 3 1 7 3.0 Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823864 71888 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 445 3 1 7 3.0 Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
68780878 83262 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmcl.2012.04.104
CHEMBL2059867 83262 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmcl.2012.04.104
46891165 13391 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 442 3 0 4 5.3 C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083285 13391 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 442 3 0 4 5.3 C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
155515209 176724 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4441529 176724 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
155515124 176708 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4441310 176708 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
155515209 176724 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4441529 176724 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
89736186 138984 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 440 5 0 6 2.3 Cc1cc(F)cnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696808 138984 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 440 5 0 6 2.3 Cc1cc(F)cnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
46891246 13773 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 450 4 0 4 5.8 CC(C)c1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
CHEMBL1084731 13773 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 450 4 0 4 5.8 CC(C)c1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
56676509 71165 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813096 71165 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
44186378 199238 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL520858 199238 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
45267528 203094 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL562270 203094 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2)c1 10.1016/j.bmcl.2009.05.112
56659677 70896 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 434 3 1 5 2.5 O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808283 70896 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 434 3 1 5 2.5 O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
16731271 197730 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
CHEMBL5185871 197730 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
44629236 71839 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.3 O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823591 71839 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.3 O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56658169 71665 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 516 5 1 6 4.7 O=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822297 71665 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 516 5 1 6 4.7 O=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
67311782 87604 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 387 3 1 5 3.5 CC(C)(C)OC(=O)C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O 10.1021/ml300172p
CHEMBL2152371 87604 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 387 3 1 5 3.5 CC(C)(C)OC(=O)C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O 10.1021/ml300172p
25066518 194794 2 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497534 194794 2 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736295 138377 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 438 5 1 7 3.8 COc1cnc(NC(=O)C2CCN(c3cc(-c4ncccc4C)c(Cl)cn3)CC2)cn1 nan
CHEMBL3692764 138377 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 438 5 1 7 3.8 COc1cnc(NC(=O)C2CCN(c3cc(-c4ncccc4C)c(Cl)cn3)CC2)cn1 nan
156021963 184978 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 500 5 1 4 5.4 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2cccnc2Nc2ccccc2)CC1 10.1016/j.bmc.2020.115354
CHEMBL4649551 184978 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 500 5 1 4 5.4 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2cccnc2Nc2ccccc2)CC1 10.1016/j.bmc.2020.115354
56661679 71670 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 504 5 1 7 4.2 O=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822302 71670 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 504 5 1 7 4.2 O=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
57539103 82300 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 CN1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043438 82300 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 CN1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
67507994 138936 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 2 0 5 3.3 COC(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
CHEMBL3696760 138936 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 2 0 5 3.3 COC(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
67509754 138389 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CC[C@@H](O)CC3)CC2)ncc1Cl nan
CHEMBL3692775 138389 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CC[C@@H](O)CC3)CC2)ncc1Cl nan
45270935 201929 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 339 6 1 3 4.2 CCC(CC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL550254 201929 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 339 6 1 3 4.2 CCC(CC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
25065064 194569 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495875 194569 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186526 194758 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 1 6 3.7 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4[nH]cnc34)CC2)nc1 10.1021/jm900309j
CHEMBL497210 194758 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 1 6 3.7 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4[nH]cnc34)CC2)nc1 10.1021/jm900309j
44186115 194789 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497436 194789 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
44186181 194821 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497639 194821 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
155559228 181624 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 404 3 0 2 4.4 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F 10.1021/acs.jmedchem.9b00283
CHEMBL4562945 181624 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 404 3 0 2 4.4 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F 10.1021/acs.jmedchem.9b00283
24776445 10769 115 None - 1 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
4227 10769 115 None - 1 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
6975 10769 115 None - 1 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
CHEMBL473417 10769 115 None - 1 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
DB08828 10769 115 None - 1 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
25066520 199387 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521558 199387 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
90656304 117810 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 451 4 0 7 4.7 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC5CCCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262648 117810 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 451 4 0 7 4.7 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC5CCCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
67509145 138327 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1ccc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1 nan
CHEMBL3692714 138327 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1ccc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1 nan
44629295 71841 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3cc4ccccc4cn3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823602 71841 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3cc4ccccc4cn3)no2)CC1 10.1016/j.bmcl.2011.07.031
56672545 71868 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 391 4 1 5 4.0 O=C(NCC1CCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823839 71868 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 391 4 1 5 4.0 O=C(NCC1CCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
11762419 40768 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL142450 40768 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
156019869 184710 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 529 6 1 4 6.0 COc1ccc(Nc2ccccc2C(=O)N2CCC(N(C)C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 10.1016/j.bmc.2020.115354
CHEMBL4645447 184710 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 529 6 1 4 6.0 COc1ccc(Nc2ccccc2C(=O)N2CCC(N(C)C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 10.1016/j.bmc.2020.115354
56682417 71886 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 8 2.1 Cn1c(-c2noc(C3CCN(C(=O)NC4CCS(=O)(=O)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823862 71886 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 8 2.1 Cn1c(-c2noc(C3CCN(C(=O)NC4CCS(=O)(=O)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
56666261 71172 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813103 71172 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56673459 70944 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1808456 70944 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
89751022 138350 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 1 5 3.4 COC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692737 138350 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 1 5 3.4 COC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
25211677 186933 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474892 186933 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56680082 70939 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 438 3 1 3 3.7 Cc1cccc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808451 70939 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 438 3 1 3 3.7 Cc1cccc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
18526613 194603 4 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496014 194603 4 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
44412191 145153 0 None - 4 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 332 4 0 4 3.5 Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL377200 145153 0 None - 4 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 332 4 0 4 3.5 Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
56680279 70811 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 470 4 1 5 3.3 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)CC2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807234 70811 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 470 4 1 5 3.3 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)CC2C1 10.1016/j.bmcl.2011.06.024
44187367 10511 32 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assayInhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assay
ChEMBL 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 10.1016/j.ejmech.2021.113268
8200 10511 32 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assayInhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assay
ChEMBL 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 10.1016/j.ejmech.2021.113268
CHEMBL2205230 10511 32 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assayInhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assay
ChEMBL 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 10.1016/j.ejmech.2021.113268
44186115 194789 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497436 194789 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
44591290 186155 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 487 6 2 3 6.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473892 186155 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 487 6 2 3 6.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56675303 71683 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 420 4 2 6 3.4 NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822445 71683 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 420 4 2 6 3.4 NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
44629065 71833 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.6 CC1CN(C(=O)Nc2ccccc2Cl)CCC1c1nc(-c2ccc3ccccc3n2)no1 10.1016/j.bmcl.2011.07.031
CHEMBL1823585 71833 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.6 CC1CN(C(=O)Nc2ccccc2Cl)CCC1c1nc(-c2ccc3ccccc3n2)no1 10.1016/j.bmcl.2011.07.031
90656293 117797 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 452 3 0 7 3.1 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCOCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262633 117797 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 452 3 0 7 3.1 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCOCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
44591325 186156 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 500 6 2 2 7.2 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473896 186156 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 500 6 2 2 7.2 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56671929 71704 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 489 5 1 7 3.9 O=C(NCC1(N2CCCCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822466 71704 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 489 5 1 7 3.9 O=C(NCC1(N2CCCCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
10334 7216 22 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
24905375 7216 22 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
CHEMBL485870 7216 22 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
49862238 21780 16 None - 2 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 367 6 0 5 3.6 COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 10.1016/j.bmcl.2010.06.033
CHEMBL1209158 21780 16 None - 2 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 367 6 0 5 3.6 COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 10.1016/j.bmcl.2010.06.033
155560589 181820 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4567678 181820 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
155560589 181820 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4567678 181820 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56661562 71697 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822459 71697 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
89736390 138983 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 1 6 1.7 Cc1cc(F)cnc1-c1cc(N2CCN(S(=O)(=O)CCO)CC2)ncc1Cl nan
CHEMBL3696807 138983 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 1 6 1.7 Cc1cc(F)cnc1-c1cc(N2CCN(S(=O)(=O)CCO)CC2)ncc1Cl nan
70680396 87597 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 482 5 1 4 4.8 C[C@H]1[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C 10.1021/ml300172p
CHEMBL2152359 87597 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 482 5 1 4 4.8 C[C@H]1[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C 10.1021/ml300172p
71454800 87599 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.3 C[C@H]1C/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O 10.1021/ml300172p
CHEMBL2152361 87599 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.3 C[C@H]1C/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O 10.1021/ml300172p
71451242 87605 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 411 3 0 3 5.0 CN1C[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](Cc2ccc(Cl)cc2)C1=O 10.1021/ml300172p
CHEMBL2152372 87605 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 411 3 0 3 5.0 CN1C[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](Cc2ccc(Cl)cc2)C1=O 10.1021/ml300172p
155548312 180557 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 286 3 0 2 3.2 C[C@H]1C(=O)N(C2CCCCC2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4537455 180557 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 286 3 0 2 3.2 C[C@H]1C(=O)N(C2CCCCC2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
155566181 182515 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 328 4 0 2 3.7 C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4582942 182515 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 328 4 0 2 3.7 C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
155519250 177126 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nn1 10.1016/j.ejmech.2019.03.057
CHEMBL4447291 177126 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nn1 10.1016/j.ejmech.2019.03.057
56668711 71663 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 481 5 1 5 5.7 O=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822295 71663 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 481 5 1 5 5.7 O=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
122185875 129536 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 436 4 2 5 5.5 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccc(C)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604617 129536 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 436 4 2 5 5.5 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccc(C)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
71451243 87608 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152376 87608 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
44591347 186425 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 486 5 2 2 7.5 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](Nc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474302 186425 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 486 5 2 2 7.5 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](Nc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
25065681 199455 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521900 199455 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508879 138940 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 387 4 0 5 2.6 Cc1cnc(-c2cc(N3CCN(C(=O)CN(C)C)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696764 138940 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 387 4 0 5 2.6 Cc1cnc(-c2cc(N3CCN(C(=O)CN(C)C)CC3)ncc2Cl)c(C)c1 nan
25066518 194794 2 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497534 194794 2 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49862154 21759 13 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 394 5 0 5 4.0 COc1cccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209048 21759 13 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 394 5 0 5 4.0 COc1cccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
67509701 138363 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 367 4 1 6 1.7 CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3692750 138363 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 367 4 1 6 1.7 CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 nan
56659616 70946 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 463 3 1 4 3.6 Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808458 70946 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 463 3 1 4 3.6 Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
134151929 160226 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 556 5 1 5 7.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4cc(OC(F)(F)F)ccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3979327 160226 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 556 5 1 5 7.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4cc(OC(F)(F)F)ccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
68039822 138971 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 384 4 1 5 2.5 CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)c2F)CC1 nan
CHEMBL3696795 138971 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 384 4 1 5 2.5 CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)c2F)CC1 nan
132606868 162874 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Antagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assayAntagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assay
ChEMBL 403 3 1 2 5.2 O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 10.1021/acs.jmedchem.6b01135
CHEMBL4063037 162874 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Antagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assayAntagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assay
ChEMBL 403 3 1 2 5.2 O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 10.1021/acs.jmedchem.6b01135
44186181 194821 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497639 194821 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
56675800 71883 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 455 3 1 7 2.8 O=C(NC1CCS(=O)(=O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823859 71883 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 455 3 1 7 2.8 O=C(NC1CCS(=O)(=O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56675306 71694 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccncc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822456 71694 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccncc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56679239 71878 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 407 3 1 6 3.4 O=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823854 71878 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 407 3 1 6 3.4 O=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44591269 186936 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)CC(NCc2ccccn2)C3)c1 10.1016/j.bmcl.2008.11.096
CHEMBL474894 186936 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)CC(NCc2ccccn2)C3)c1 10.1016/j.bmcl.2008.11.096
86294818 117803 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5cccc(F)c5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262641 117803 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5cccc(F)c5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
9827343 127766 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL356310 127766 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56680278 70800 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 467 4 1 4 3.8 O=C(Nc1ccncc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807223 70800 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 467 4 1 4 3.8 O=C(Nc1ccncc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56666698 70806 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807229 70806 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
59174944 82294 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 377 3 2 4 3.8 O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)OCCO2 10.1021/ml2002423
CHEMBL2043431 82294 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 377 3 2 4 3.8 O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)OCCO2 10.1021/ml2002423
56659615 70936 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 3 1 3 4.0 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3Cc4ccccc4C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808448 70936 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 3 1 3 4.0 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3Cc4ccccc4C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
71451243 87608 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152376 87608 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
137521007 177365 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 659 9 1 7 7.4 CC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1 10.1021/acs.jmedchem.8b01283
CHEMBL4450586 177365 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 659 9 1 7 7.4 CC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1 10.1021/acs.jmedchem.8b01283
56670007 70899 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808286 70899 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56659617 70948 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 3.7 O=C(Nc1ccccc1C(F)(F)F)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808460 70948 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 3.7 O=C(Nc1ccccc1C(F)(F)F)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
90299606 117815 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 410 4 1 6 4.0 CCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3262653 117815 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 410 4 1 6 4.0 CCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
25211577 186601 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 506 6 2 3 7.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474503 186601 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 506 6 2 3 7.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56683159 71181 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813111 71181 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
70690618 83263 1 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059868 83263 1 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70696850 83267 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059871 83267 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
137521227 178858 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 571 7 3 7 5.0 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)NN)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4472296 178858 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 571 7 3 7 5.0 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)NN)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
46890873 13365 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 401 3 0 6 3.7 O=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1083104 13365 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 401 3 0 6 3.7 O=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
132991430 158606 0 None - 0 Mouse 8.0 pIC50 = 8.0 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3965352 158606 0 None - 0 Mouse 8.0 pIC50 = 8.0 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
67508853 138927 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 5 0 6 2.2 Cc1cccnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696752 138927 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 5 0 6 2.2 Cc1cccnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
44186310 194570 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495876 194570 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736064 138375 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 477 5 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)ncc1Cl nan
CHEMBL3692762 138375 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 477 5 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)ncc1Cl nan
137644724 165263 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Antagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assayAntagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assay
ChEMBL 355 4 1 3 4.4 COc1cccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)c1 10.1021/acs.jmedchem.6b01135
CHEMBL4090942 165263 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Antagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assayAntagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assay
ChEMBL 355 4 1 3 4.4 COc1cccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)c1 10.1021/acs.jmedchem.6b01135
45270940 201982 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2F)c1 10.1016/j.bmcl.2009.05.112
CHEMBL550661 201982 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2F)c1 10.1016/j.bmcl.2009.05.112
45269261 203367 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL563992 203367 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C)cc2)c1 10.1016/j.bmcl.2009.05.112
56658050 71684 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 6 2 6 4.1 CCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822446 71684 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 6 2 6 4.1 CCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
2953198 13294 13 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 332 2 0 4 3.0 CC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1082790 13294 13 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 332 2 0 4 3.0 CC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
56675419 71664 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 435 5 2 6 3.7 O=C(NCC1(CO)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822296 71664 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 435 5 2 6 3.7 O=C(NCC1(CO)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
90286529 117813 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 438 4 0 7 3.5 Cc1cnc(-c2cc(N3CCn4cc(CN5CCOCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262651 117813 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 438 4 0 7 3.5 Cc1cnc(-c2cc(N3CCn4cc(CN5CCOCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
25066322 194846 2 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3cnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497819 194846 2 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3cnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186310 194570 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495876 194570 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
155515451 176747 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 328 4 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4441914 176747 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 328 4 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 10.1021/acs.jmedchem.9b00283
127052483 147515 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 569 4 0 8 5.3 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818034 147515 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 569 4 0 8 5.3 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
89735901 138942 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.4 Cc1cccnc1-c1cc(N2[C@H]3CC[C@@H]2CN(C(=O)CC(C)(C)O)C3)ncc1Cl nan
CHEMBL3696766 138942 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.4 Cc1cccnc1-c1cc(N2[C@H]3CC[C@@H]2CN(C(=O)CC(C)(C)O)C3)ncc1Cl nan
56676825 70891 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 426 8 0 3 3.5 CCCCN(CCCC)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808278 70891 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 426 8 0 3 3.5 CCCCN(CCCC)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
137521075 178771 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 513 6 1 6 5.6 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(N)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4471156 178771 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 513 6 1 6 5.6 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(N)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
24798071 185895 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 530 7 2 3 7.2 COc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL471881 185895 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 530 7 2 3 7.2 COc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
89736238 138393 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 437 5 2 6 3.8 Cc1cccnc1-c1cc(N2CCC(C(=O)Nc3cccc(CO)n3)CC2)ncc1Cl nan
CHEMBL3692779 138393 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 437 5 2 6 3.8 Cc1cccnc1-c1cc(N2CCC(C(=O)Nc3cccc(CO)n3)CC2)ncc1Cl nan
156010990 183888 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 524 5 1 4 5.8 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2C#N)CC1 10.1016/j.bmc.2020.115354
CHEMBL4633504 183888 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 524 5 1 4 5.8 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2C#N)CC1 10.1016/j.bmc.2020.115354
56673518 70897 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808284 70897 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
122185878 129538 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 408 5 2 5 5.6 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NCc4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604620 129538 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 408 5 2 5 5.6 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NCc4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
56683156 71164 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 71164 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
25066520 199387 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521558 199387 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736074 138959 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 405 4 1 6 2.5 Cc1cc(C#N)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696783 138959 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 405 4 1 6 2.5 Cc1cc(C#N)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
56678642 71688 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 524 5 1 6 5.2 O=C(NCC1(N2CCC(F)(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822450 71688 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 524 5 1 6 5.2 O=C(NCC1(N2CCC(F)(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
45269264 203057 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 377 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2c(C)cccc2C)c1 10.1016/j.bmcl.2009.05.112
CHEMBL561995 203057 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 377 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2c(C)cccc2C)c1 10.1016/j.bmcl.2009.05.112
25065894 199963 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523255 199963 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44412191 145153 0 None - 4 Human 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 332 4 0 4 3.5 Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL377200 145153 0 None - 4 Human 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 332 4 0 4 3.5 Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
46891163 13322 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3ccncc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1082967 13322 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3ccncc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
90656305 117811 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 0 7 4.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Oc5ccccc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262649 117811 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 0 7 4.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Oc5ccccc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
68039837 138988 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 390 6 0 6 1.9 COCCS(=O)(=O)N1CCN(c2cc(-c3ncc(C)cc3C)ccn2)CC1 nan
CHEMBL3696812 138988 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 390 6 0 6 1.9 COCCS(=O)(=O)N1CCN(c2cc(-c3ncc(C)cc3C)ccn2)CC1 nan
44186429 194683 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496603 194683 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56658051 71693 0 None - 0 Human 5.0 pIC50 = 5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1cccnc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822455 71693 0 None - 0 Human 5.0 pIC50 = 5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1cccnc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
156011893 184121 4 None - 1 Human 8.0 pKd = 8.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 451 3 1 5 5.7 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(Cl)nc1Cl 10.1016/j.bmc.2020.115584
CHEMBL4637406 184121 4 None - 1 Human 8.0 pKd = 8.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 451 3 1 5 5.7 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(Cl)nc1Cl 10.1016/j.bmc.2020.115584
156019217 184747 0 None - 1 Human 8.0 pKd = 8.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 485 3 1 5 6.0 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(C(F)(F)F)nc1Cl 10.1016/j.bmc.2020.115584
CHEMBL4645977 184747 0 None - 1 Human 8.0 pKd = 8.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 485 3 1 5 6.0 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(C(F)(F)F)nc1Cl 10.1016/j.bmc.2020.115584
10328 8068 66 None - 1 Human 6.9 pKd = 6.9 Binding
Binding affinity to Smo D473H mutant expressed in U2OS cells by scintillation countingBinding affinity to Smo D473H mutant expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
442972 8068 66 None - 1 Human 6.9 pKd = 6.9 Binding
Binding affinity to Smo D473H mutant expressed in U2OS cells by scintillation countingBinding affinity to Smo D473H mutant expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
CHEMBL254129 8068 66 None - 1 Human 6.9 pKd = 6.9 Binding
Binding affinity to Smo D473H mutant expressed in U2OS cells by scintillation countingBinding affinity to Smo D473H mutant expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
10328 8068 66 None - 1 Human 7.9 pKd = 7.9 Binding
Binding affinity to wild type Smo expressed in U2OS cells by scintillation countingBinding affinity to wild type Smo expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
442972 8068 66 None - 1 Human 7.9 pKd = 7.9 Binding
Binding affinity to wild type Smo expressed in U2OS cells by scintillation countingBinding affinity to wild type Smo expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
CHEMBL254129 8068 66 None - 1 Human 7.9 pKd = 7.9 Binding
Binding affinity to wild type Smo expressed in U2OS cells by scintillation countingBinding affinity to wild type Smo expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
147143564 183884 0 None - 1 Human 4.9 pKd = 4.9 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 416 3 1 4 5.6 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1cccc(Cl)c1 10.1016/j.bmc.2020.115584
CHEMBL4633406 183884 0 None - 1 Human 4.9 pKd = 4.9 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 416 3 1 4 5.6 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1cccc(Cl)c1 10.1016/j.bmc.2020.115584
156019469 184757 0 None - 1 Human 4.9 pKd = 4.9 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 468 3 1 4 6.1 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(C(F)(F)F)cc1F 10.1016/j.bmc.2020.115584
CHEMBL4646026 184757 0 None - 1 Human 4.9 pKd = 4.9 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 468 3 1 4 6.1 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(C(F)(F)F)cc1F 10.1016/j.bmc.2020.115584
24776445 10769 115 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115584
4227 10769 115 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115584
6975 10769 115 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115584
CHEMBL473417 10769 115 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115584
DB08828 10769 115 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115584
24776445 10769 115 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.7b00794
4227 10769 115 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.7b00794
6975 10769 115 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.7b00794
CHEMBL473417 10769 115 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.7b00794
DB08828 10769 115 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.7b00794
10328 8068 66 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
442972 8068 66 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
CHEMBL254129 8068 66 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
24776445 10769 115 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
4227 10769 115 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
6975 10769 115 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
CHEMBL473417 10769 115 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
DB08828 10769 115 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
4269048 70183 7 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 352 4 3 5 1.7 O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccccc12 10.1021/acs.jmedchem.7b00794
CHEMBL1796172 70183 7 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 352 4 3 5 1.7 O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccccc12 10.1021/acs.jmedchem.7b00794
56846693 81413 66 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 517 7 2 8 5.9 COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC 10.1021/acs.jmedchem.7b00794
CHEMBL2029988 81413 66 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 517 7 2 8 5.9 COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC 10.1021/acs.jmedchem.7b00794
10328 8068 66 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
442972 8068 66 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
CHEMBL254129 8068 66 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
155559226 181623 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 375 6 0 4 4.0 C#CCOc1ccc(N2C(=O)[C@H](C)N(Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 10.1021/acs.jmedchem.9b00283
CHEMBL4562943 181623 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 375 6 0 4 4.0 C#CCOc1ccc(N2C(=O)[C@H](C)N(Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 10.1021/acs.jmedchem.9b00283
76848956 181939 30 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 371 4 2 5 4.7 FC(F)(F)Oc1ccc(-c2ccnc(Nc3ccc4[nH]ncc4c3)n2)cc1 10.1021/acs.jmedchem.9b00283
CHEMBL4570165 181939 30 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 371 4 2 5 4.7 FC(F)(F)Oc1ccc(-c2ccnc(Nc3ccc4[nH]ncc4c3)n2)cc1 10.1021/acs.jmedchem.9b00283
97046899 182650 1 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 314 3 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4586057 182650 1 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 314 3 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
71458712 88302 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
CHEMBL2160208 88302 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
24901704 101765 82 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometryDisplacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry
ChEMBL 517 6 2 7 5.7 Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1 10.1021/acs.jmedchem.7b00794
CHEMBL254760 101765 82 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometryDisplacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry
ChEMBL 517 6 2 7 5.7 Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1 10.1021/acs.jmedchem.7b00794
155549835 180667 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 355 4 0 3 4.6 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1 10.1021/acs.jmedchem.9b00283
CHEMBL4539839 180667 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 355 4 0 3 4.6 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1 10.1021/acs.jmedchem.9b00283
447077 148548 70 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 442 4 1 6 5.8 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 10.1021/acs.jmedchem.7b00794
CHEMBL386051 148548 70 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 442 4 1 6 5.8 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 10.1021/acs.jmedchem.7b00794
53235510 73392 84 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 559 8 2 8 5.4 CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 10.1021/acs.jmedchem.7b00794
CHEMBL1852688 73392 84 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 559 8 2 8 5.4 CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 10.1021/acs.jmedchem.7b00794
71458712 88302 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
CHEMBL2160208 88302 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
1048811 166572 8 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 506 5 3 5 3.6 Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3cc(Br)ccc3O)c3ccccc32)cc1 10.1021/acs.jmedchem.7b00794
CHEMBL4105444 166572 8 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 506 5 3 5 3.6 Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3cc(Br)ccc3O)c3ccccc32)cc1 10.1021/acs.jmedchem.7b00794
10328 8068 66 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/acs.jmedchem.7b00794
442972 8068 66 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/acs.jmedchem.7b00794
CHEMBL254129 8068 66 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/acs.jmedchem.7b00794
24901704 101765 82 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 517 6 2 7 5.7 Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1 10.1021/acs.jmedchem.7b00794
CHEMBL254760 101765 82 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 517 6 2 7 5.7 Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1 10.1021/acs.jmedchem.7b00794
155515079 176703 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 321 4 0 3 4.0 C[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4441183 176703 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 321 4 0 3 4.0 C[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
42642645 23171 79 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometryDisplacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry
ChEMBL 632 12 2 8 5.8 COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1 10.1021/acs.jmedchem.7b00794
CHEMBL1230609 23171 79 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometryDisplacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry
ChEMBL 632 12 2 8 5.8 COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1 10.1021/acs.jmedchem.7b00794
24775005 10411 74 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 10.1016/j.bmc.2012.09.030
5008 10411 74 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 10.1016/j.bmc.2012.09.030
8199 10411 74 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 10.1016/j.bmc.2012.09.030
CHEMBL2105737 10411 74 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 10.1016/j.bmc.2012.09.030
DB09143 10411 74 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 10.1016/j.bmc.2012.09.030
42642645 23171 79 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 632 12 2 8 5.8 COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1 10.1021/acs.jmedchem.7b00794
CHEMBL1230609 23171 79 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 632 12 2 8 5.8 COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1 10.1021/acs.jmedchem.7b00794
11485656 91581 109 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 375 3 4 3 4.9 Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 10.1021/acs.jmedchem.7b00794
CHEMBL223360 91581 109 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 375 3 4 3 4.9 Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 10.1021/acs.jmedchem.7b00794
10332 9456 0 None - 1 Human 9.5 pKd = 9.5 Binding
Binding of [<sup>3</sup>H]MRT-92 to hSMO.Binding of [<sup>3</sup>H]MRT-92 to hSMO.
Guide to Pharmacology 566 10 4 6 5.8 COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C 25636740
136235465 9456 0 None - 1 Human 9.5 pKd = 9.5 Binding
Binding of [<sup>3</sup>H]MRT-92 to hSMO.Binding of [<sup>3</sup>H]MRT-92 to hSMO.
Guide to Pharmacology 566 10 4 6 5.8 COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C 25636740
CHEMBL4302587 9456 0 None - 1 Human 9.5 pKd = 9.5 Binding
Binding of [<sup>3</sup>H]MRT-92 to hSMO.Binding of [<sup>3</sup>H]MRT-92 to hSMO.
Guide to Pharmacology 566 10 4 6 5.8 COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C 25636740
53235510 73392 84 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
Drug Central 559 8 2 8 5.4 CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 None
CHEMBL1852688 73392 84 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
Drug Central 559 8 2 8 5.4 CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 None
24776445 10769 115 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
4227 10769 115 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
6975 10769 115 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
CHEMBL473417 10769 115 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
DB08828 10769 115 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
24775005 10411 74 None - 1 Human 8.1 pKi = 8.1 Binding
NoneNone
Drug Central 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F None
5008 10411 74 None - 1 Human 8.1 pKi = 8.1 Binding
NoneNone
Drug Central 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F None
8199 10411 74 None - 1 Human 8.1 pKi = 8.1 Binding
NoneNone
Drug Central 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F None
CHEMBL2105737 10411 74 None - 1 Human 8.1 pKi = 8.1 Binding
NoneNone
Drug Central 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F None
DB09143 10411 74 None - 1 Human 8.1 pKi = 8.1 Binding
NoneNone
Drug Central 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F None
10330 10239 52 None - 1 Mouse 7.7 pKi = 7.7 Binding
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 12391318
6878030 10239 52 None - 1 Mouse 7.7 pKi = 7.7 Binding
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 12391318
CHEMBL515916 10239 52 None - 1 Mouse 7.7 pKi = 7.7 Binding
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 12391318
24776445 10769 115 None - 1 Human 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 23063522
4227 10769 115 None - 1 Human 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 23063522
6975 10769 115 None - 1 Human 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 23063522
CHEMBL473417 10769 115 None - 1 Human 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 23063522
DB08828 10769 115 None - 1 Human 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 23063522
24775005 10411 74 None - 1 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 23063522
5008 10411 74 None - 1 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 23063522
8199 10411 74 None - 1 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 23063522
CHEMBL2105737 10411 74 None - 1 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 23063522
DB09143 10411 74 None - 1 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 23063522