Ligand source activities (1 row/activity)





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Smiles

DOI

10327 3459 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 3459 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 3459 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 184744 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 184744 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 185052 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 185052 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 185221 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 185221 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 185334 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 185334 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 185678 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 185678 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 186401 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 186401 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 185599 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 185599 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 186139 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 186139 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 186521 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 186521 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 184444 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 184444 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 185740 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 185740 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 81482 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 81482 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 81484 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 81484 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 81487 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 81487 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 81478 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 81478 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 81488 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 81488 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 81480 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 81480 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 81481 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 81481 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 81477 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 81477 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 81486 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 81486 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 81489 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 81489 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 167027 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 167027 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 15074 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 15074 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 3997 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 3997 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 3997 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 3997 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 3997 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 81484 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 81484 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 167656 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 167656 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 167656 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 105792 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 105792 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 64390 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 64390 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 74776 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 74776 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 167289 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 167289 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 167081 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 167081 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 51219 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 51219 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 162134 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 162134 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 81477 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 81477 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 74788 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 74788 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 74798 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 74798 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 162134 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 162134 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 64121 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 64121 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 64174 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 64174 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 74779 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 74779 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 81486 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 81486 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 14993 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 14993 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 15059 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 15059 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 64397 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 64397 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 64398 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 64398 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 64030 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 64030 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 64171 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 64171 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 53413 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 53413 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 163013 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 163013 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 64033 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 64033 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 53413 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 53413 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 164615 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 164615 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 65178 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 65178 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 74786 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 74786 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 64161 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 74783 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 74783 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 65179 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 65179 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 74795 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 74795 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 64390 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 64390 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 64396 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 64396 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 64120 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 64120 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 64168 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 64168 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 183862 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 183862 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 64395 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 64395 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 64408 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 64408 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 167155 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 167155 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 74797 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 74797 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 64172 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 64172 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 64116 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 64116 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 81485 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 81485 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 166821 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 166821 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 15058 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 15058 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 64034 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 64034 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 74785 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 74785 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 74785 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 74785 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 74785 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 74785 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 74801 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 74801 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 64124 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 64124 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 166538 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 166538 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 162897 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 162897 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 7036 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 7036 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 65183 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 65183 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 64410 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 64410 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 162897 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 162897 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 167362 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 167362 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 64404 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 64404 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 64028 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 64028 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 64173 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 64173 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 74777 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 74777 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 74767 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 74767 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 81485 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 81485 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 6523 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 6523 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 15000 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 15000 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 74780 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 74780 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 74800 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 74800 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 64117 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 64117 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 81483 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 81483 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 7035 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 7035 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 3743 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 3743 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 3743 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 3743 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 81527 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 81527 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 81487 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 81487 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 7003 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 7003 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 7006 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 7006 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 184443 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 184443 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 184582 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 184582 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 185248 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 185248 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 185428 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 185428 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 185447 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 185447 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 185459 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 185459 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 186022 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 186022 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 186225 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 186225 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 64024 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 64024 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 64125 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 64125 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 166530 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 166530 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 15001 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 15001 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 64023 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 64023 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 64029 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 64029 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 64167 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 64167 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 74791 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 74791 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 64163 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 64163 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 64409 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 64409 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 166401 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 166401 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 162586 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 162586 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 162586 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 162586 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 64032 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 64032 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 162290 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 162290 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 64175 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 64175 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 64176 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 64176 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 15026 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 15026 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 64160 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 64160 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 167107 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 167107 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 65190 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 65190 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 166702 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 166702 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 166650 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 166650 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 65182 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 65182 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 65191 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 65191 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 190951 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 190951 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 64392 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 64392 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 64122 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 64122 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 65192 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 65192 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 64400 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 64400 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 64025 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 64025 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 166863 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 166863 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 166725 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 166725 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 74782 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 74782 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 74789 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 74789 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 167159 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 167159 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 74789 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 74789 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 81479 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 81479 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 189798 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 189798 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 81482 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 81482 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 15013 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 15013 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 166485 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 166485 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 105790 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 105790 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 1285 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 1285 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 1285 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 190951 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 190951 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 185791 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 185791 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 162801 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 162801 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 64036 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 64036 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 167066 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 167066 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 81483 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 81483 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 65183 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 65183 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 64162 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 64162 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 167088 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 167088 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 65193 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 65193 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 3997 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 3997 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 3997 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 3997 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 3997 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 74794 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 74794 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 64169 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 64169 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 64118 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 64118 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 167274 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 167274 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 81479 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 81479 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 167168 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 167168 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 164547 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 164547 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 65194 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 65194 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 64164 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 64164 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 74799 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 74799 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 166917 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 166917 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 15014 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 15014 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 65184 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 65184 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 105793 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 105793 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 3997 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 3997 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 3997 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 3997 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 3997 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 3743 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 3743 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 3743 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 3743 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 64399 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 64399 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 74784 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 74784 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 162773 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 162773 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 64391 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 64391 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 162773 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 162773 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 162663 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 162663 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 163055 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 163055 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 64394 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 64394 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 162663 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 162663 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 163055 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 163055 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 65185 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 65185 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 64110 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 64110 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 3997 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 3997 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 3997 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 3997 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 3997 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 162522 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 162522 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 162567 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 162567 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 64035 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 64035 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 162522 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 162522 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 65195 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 65195 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 1285 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 1285 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 1285 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 65180 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 65180 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 81480 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 81480 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 64401 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 64401 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 64402 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 64402 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 7005 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 7005 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 7296 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 7296 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 15073 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 15073 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 64390 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 64390 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 64126 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 64126 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 64166 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 64166 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 74768 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 74768 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 162771 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 162771 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 162240 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 162240 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 162771 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 162771 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 64170 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 64170 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 162240 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 162240 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 64165 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 64165 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 15028 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 15028 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 162088 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 162088 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 162088 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 162088 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 81478 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 81478 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 64407 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 64407 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 3997 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 3997 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 3997 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 3997 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 3997 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 65189 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 65189 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 64115 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 64115 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 65186 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 65186 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 74792 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 74792 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 74769 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 74769 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 74769 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 74769 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 74769 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 74769 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 15057 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 15057 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 162546 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 162546 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 162546 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 162546 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 166719 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 166719 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 167095 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 167095 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 166529 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 166529 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 3997 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 3997 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 3997 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 3997 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 3997 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 65190 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 65190 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 74790 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 74790 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 74796 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 74796 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 152612 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 152612 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 162019 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 162019 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 162019 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 162019 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 64119 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 64119 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 65181 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 65181 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 15027 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 15027 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 81481 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 81481 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 15038 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 15038 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 64406 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 64406 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 190951 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 190951 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 15029 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 15029 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 74766 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 74766 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 64031 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 64031 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 74778 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 74778 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 64123 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 64123 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 166809 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 166809 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 64393 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 64393 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 65187 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 65187 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 64403 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 64403 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 64026 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 64026 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 64027 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 64027 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 74771 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 74771 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 74793 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 74793 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 65188 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 65188 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 65196 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 65196 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 162725 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 162725 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 106031 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 106031 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 1870 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 1870 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 1870 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 3459 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 3459 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 3459 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 3236 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 3236 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 3236 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 1803 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 1803 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 1803 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 1803 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 1803 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 3997 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 3997 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 3997 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 3997 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 3997 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 1803 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 1803 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 1803 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 1803 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 1803 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 428 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 428 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 428 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 3743 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 3743 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 3743 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 3743 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 3467 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 3467 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 3467 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 1286 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 1286 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 1803 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 1803 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 1803 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 1803 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 1803 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 3739 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 3739 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 3739 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 556 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 556 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 556 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 556 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 556 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 556 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 3476 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 3476 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 3476 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 3476 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 1285 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 1285 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 1285 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 177061 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 177061 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 177880 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 177880 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 177498 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 177498 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 177061 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 177061 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 177785 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 177785 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 178110 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 178110 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 556 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 556 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 556 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 177333 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 177333 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 3236 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 3236 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 3236 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 76482 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 76482 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 76052 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 76052 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 1870 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 1870 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 1870 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 143564 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 143564 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 76485 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 76485 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 177416 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 177416 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 76485 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 76485 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 3459 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 3459 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 3459 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 76485 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 76485 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 151827 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 151827 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 76484 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 76484 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 146159 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 146159 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 177281 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 177281 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 76495 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 76495 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 76485 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 76485 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 76481 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 76481 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 76481 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 76481 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 3997 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 3997 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 3997 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 3997 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 3997 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 3997 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 3997 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 3997 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 3997 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 3997 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 177854 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 177854 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 556 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 556 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 556 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 177286 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 177286 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 177612 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 177612 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 177061 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 177061 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 152860 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 152860 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 76488 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 76488 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 76488 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 76488 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 76483 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 76483 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 177284 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 177284 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 151827 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 151827 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 146567 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 146567 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 146863 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 146863 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 76489 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 76489 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 76489 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 76489 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 76494 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 76494 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 76492 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 76492 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 3997 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 3997 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 3997 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 3997 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 3997 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 556 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 556 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 556 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 177331 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 177331 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 178066 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 178066 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 3459 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 3459 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 3459 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 177377 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 177377 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 76479 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 76479 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 150976 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 150976 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 153504 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 153504 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 147080 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 147080 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 142568 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 142568 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 76480 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 76480 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 76480 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 76480 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 3997 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 3997 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 3997 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 3997 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 3997 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 76496 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 76496 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 151827 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 151827 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 150051 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 150051 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 146616 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 146616 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 76487 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 76487 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 177621 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 177621 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 142970 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 142970 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 152522 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 152522 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 144074 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 144074 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 76487 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 76487 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 177767 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 177767 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 152406 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 152406 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 76051 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 76051 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 76491 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 76491 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 3236 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 3236 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 3236 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 148916 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 148916 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 150519 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 150519 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 76486 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 76486 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 76486 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 76486 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 151883 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 151883 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 177061 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 177061 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 556 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 556 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 556 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 3997 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 3997 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 3997 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 3997 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 3997 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 6807 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 6807 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 15074 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 15074 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 7388 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 7388 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 3743 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 3743 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 3743 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 3743 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 187986 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 187986 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 3476 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 3476 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 3476 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 3476 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 81477 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 81477 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 179091 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 179091 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 180155 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 180155 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 64929 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 64929 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 64930 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 64930 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 191370 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 191370 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 14994 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 14994 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 122755 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 122755 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 7002 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 7002 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 132208 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 132208 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 6742 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 6742 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 64888 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 64888 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 64397 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 64397 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 142604 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 142604 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 142615 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 142615 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 143017 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 143017 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 143370 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 143370 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 144370 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 144370 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 144483 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 144483 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 144795 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 144795 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 145198 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 145198 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 145551 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 145551 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 146142 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 146142 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 147038 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 147038 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 147101 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 147101 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 147130 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 147130 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 147366 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 147366 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 147438 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 147438 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 147521 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 147521 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 148029 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 148029 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 148925 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 148925 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 149805 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 149805 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 149830 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 149830 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 149880 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 149880 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 150351 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 150351 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 150622 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 150622 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 150851 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 150851 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 150864 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 150864 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 150950 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 150950 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 150970 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 150970 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 151143 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 151143 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 151197 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 151197 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 151848 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 151848 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 151849 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 151849 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 151885 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 151885 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 151907 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 151907 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 152026 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 152026 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 152464 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 152464 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 152777 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 152777 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 153240 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 153240 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 153334 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 153334 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 153515 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 153515 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 153638 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 153638 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 153792 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 153792 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 154265 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 154265 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 154281 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 154281 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 142615 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 142615 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 142763 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 142763 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 143017 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 143017 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 143158 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 143158 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 144370 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 144370 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 144795 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 144795 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 145551 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 145551 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 147101 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 147101 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 147130 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 147130 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 147366 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 147366 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 147438 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 147438 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 147521 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 147521 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 148623 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 148623 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 148925 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 148925 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 149805 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 149805 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 149830 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 149830 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 149880 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 149880 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 150622 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 150622 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 150864 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 150864 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 150950 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 150950 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 150970 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 150970 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 151143 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 151143 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 151197 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 151197 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 151849 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 151849 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 151885 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 151885 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 151907 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 151907 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 152026 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 152026 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 152323 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 152323 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 152464 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 152464 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 153240 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 153240 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 153334 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 153334 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 153638 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 153638 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 154265 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 154265 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 154281 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 154281 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 196241 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 196241 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 122761 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 122761 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 142413 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 142413 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 142763 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 142763 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 143231 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 143231 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 143457 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 143457 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 144121 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 144121 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 144376 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 144376 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 144418 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 144418 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 144483 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 144483 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 144795 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 144795 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 146626 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 146626 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 147101 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 147101 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 147926 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 147926 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 147966 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 147966 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 148505 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 148505 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 148528 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 148528 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 148925 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 148925 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 149264 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 149264 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 149830 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 149830 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 149880 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 149880 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 150063 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 150063 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 150182 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 150182 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 150382 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 150382 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 150622 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 150622 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 150851 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 150851 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 150970 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 150970 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 151143 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 151143 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 151197 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 151197 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 151848 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 151848 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 151849 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 151849 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 152036 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 152036 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 152464 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 152464 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 152777 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 152777 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 153910 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 153910 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 154265 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 154265 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 154281 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 154281 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 142382 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 142382 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 142604 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 142604 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 142615 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 142615 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 143017 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 143017 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 143567 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 143567 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 143977 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 143977 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 144052 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 144052 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 144121 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 144121 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 144447 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 144447 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 144888 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 144888 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 145109 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 145109 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 145198 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 145198 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 145551 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 145551 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 145628 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 145628 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 146142 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 146142 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 146406 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 146406 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 146502 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 146502 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 146521 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 146521 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 146626 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 146626 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 146853 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 146853 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 147038 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 147038 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 147064 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 147064 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 147101 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 147101 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 147130 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 147130 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 147366 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 147366 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 147438 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 147438 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 147630 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 147630 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 147969 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 147969 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 148029 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 148029 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 148366 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 148366 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 148623 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 148623 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 148992 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 148992 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 149043 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 149043 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 149237 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 149237 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 149323 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 149323 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 149500 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 149500 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 149805 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 149805 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 149830 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 149830 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 150058 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 150058 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 150063 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 150063 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 150251 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 150251 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 150576 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 150576 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 150622 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 150622 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 150851 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 150851 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 150864 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 150864 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 150950 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 150950 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 151197 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 151197 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 151437 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 151437 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 151969 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 151969 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 152026 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 152026 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 152030 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 152030 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 152565 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 152565 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 152777 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 152777 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 152905 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 152905 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 153334 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 153334 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 153515 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 153515 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 153638 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 153638 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 153792 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 153792 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 153910 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 153910 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 153983 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 153983 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 154281 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 154281 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 154289 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 154289 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 132180 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 132180 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 65064 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 65064 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 65072 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 65072 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 65073 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 65073 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 64124 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 64124 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 142413 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 142413 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 142763 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 142763 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 143231 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 143231 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 144418 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 144418 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 144886 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 144886 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 145635 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 145635 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 146100 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 146100 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 147966 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 147966 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 148505 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 148505 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 148528 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 148528 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 150182 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 150182 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 150653 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 150653 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 151320 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 151320 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 152036 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 152036 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 152323 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 152323 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 142413 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 142413 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 143231 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 143231 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 143370 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 143370 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 144418 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 144418 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 144886 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 144886 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 145635 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 145635 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 146100 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 146100 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 147966 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 147966 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 148505 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 148505 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 148528 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 148528 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 150182 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 150182 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 150653 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 150653 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 151320 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 151320 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 152036 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 152036 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 144797 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 144797 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 143370 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 143370 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 144886 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 144886 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 145635 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 145635 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 146100 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 146100 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 150653 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 150653 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 151320 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 151320 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 151907 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 151907 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 152091 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 152091 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 152323 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 152323 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 152382 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 152382 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 152747 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 152747 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 153240 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 153240 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 153762 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 153762 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 142413 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 142413 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 142763 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 142763 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 143158 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 143158 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 143231 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 143231 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 143370 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 143370 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 143457 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 143457 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 144370 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 144370 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 144376 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 144376 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 144418 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 144418 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 144483 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 144483 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 144795 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 144795 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 144886 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 144886 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 145635 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 145635 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 145729 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 145729 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 146100 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 146100 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 146213 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 146213 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 147926 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 147926 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 147966 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 147966 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 148505 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 148505 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 148528 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 148528 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 148925 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 148925 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 149264 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 149264 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 149880 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 149880 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 150182 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 150182 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 150382 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 150382 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 150653 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 150653 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 150970 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 150970 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 151143 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 151143 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 151320 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 151320 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 151848 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 151848 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 151849 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 151849 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 151885 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 151885 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 151907 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 151907 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 152036 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 152036 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 152091 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 152091 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 152323 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 152323 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 152382 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 152382 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 152464 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 152464 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 152747 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 152747 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 153240 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 153240 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 153762 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 153762 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 154265 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 154265 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 195236 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 195236 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 196382 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 196382 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 196437 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 196437 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 196554 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 196554 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 132152 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 132152 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 187904 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 187904 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 75517 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 75517 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 187791 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 187791 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 14996 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 14996 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 131596 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 131596 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 74785 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 74785 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 131567 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 131567 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 131579 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 131579 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 187823 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 187823 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 7296 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 7296 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 132174 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 132174 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 132207 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 132207 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 132183 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 132183 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 132177 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 132177 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 132196 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 132196 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 6702 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 6702 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 179624 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 179624 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 64913 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 64913 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 65080 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 65080 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 6498 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 6498 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 169856 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 169856 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 131553 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 131553 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 131562 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 131562 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 132186 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 132186 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 65070 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 65070 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 65092 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 65092 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 64121 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 64121 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 64163 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 64163 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 127537 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 127537 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 65111 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 65111 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 80819 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 80819 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 80827 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 80827 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 132146 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 132146 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 188015 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 188015 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 187904 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 187904 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 192676 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 192676 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 132142 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 132142 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 132156 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 132156 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 132190 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 132190 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 189669 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 189669 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 180154 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 180154 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 64400 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 64400 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 64400 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 64400 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 64025 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 64025 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 76491 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 76491 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 132211 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 132211 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 132198 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 132198 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 132154 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 132154 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 34615 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 34615 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 179116 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 179116 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 179831 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 179831 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 64398 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 64398 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 195251 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 195251 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 54956 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 54956 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 131609 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 131609 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 1285 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 1285 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 1285 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 64408 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 64408 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 65099 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 65099 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 195892 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 195892 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 197337 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 197337 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 111022 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 111022 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 177859 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 177859 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 192949 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 192949 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 15008 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 15008 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 132169 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 132169 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 187824 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 187824 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 131582 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 131582 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 14996 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 14996 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 131584 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 131584 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 64932 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 64932 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 64932 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 64932 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 64410 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 64410 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 64932 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 64932 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 64034 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 64034 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 6592 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 6592 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 7355 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 7355 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 3997 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 3997 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 3997 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 3997 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 3997 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 179646 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 179646 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 64168 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 64168 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 195140 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 195140 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 196127 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 196127 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 65090 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 65090 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 195376 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 195376 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 110680 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 110680 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 65107 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 65107 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 64892 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 64892 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 131581 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 131581 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 132148 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 132148 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 192608 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 192608 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 177673 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 177673 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 192608 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 192608 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 132143 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 132143 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 140826 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 140826 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 192459 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 192459 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 131603 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 131603 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 158484 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 158484 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 132139 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 132139 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 188009 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 188009 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 179377 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 179377 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 189603 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 189603 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 187792 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 187792 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 132178 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 132178 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 132212 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 132212 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 175988 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 175988 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 64912 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 64912 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 64029 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 64029 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 174812 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 174812 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 65083 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 65083 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 64036 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 64036 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 195360 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 195360 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 64893 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 64893 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 175988 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 175988 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 189669 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 189669 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 188068 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 188068 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 131606 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 131606 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 187790 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 187790 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 191456 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 191456 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 64927 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 64927 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 64929 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 64929 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 64404 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 64404 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 64401 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 64401 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 187986 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 187986 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 6422 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 6422 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 6741 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 6741 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 132182 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 132182 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 195724 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 195724 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 122763 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 122763 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 122764 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 122764 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 65091 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 65091 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 65093 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 65093 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 65098 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 65098 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 3236 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 3236 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 3236 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 1285 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 1285 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 1285 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 111023 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 111023 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 65110 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 65110 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 65057 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 65057 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 80818 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 80818 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 80820 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 80820 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 188093 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 188093 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 187753 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 187753 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 170609 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 170609 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 131613 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 131613 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 192154 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 192154 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 187979 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 187979 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 154220 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 154220 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 131604 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 131604 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 64911 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 64911 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 64402 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 64402 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 3997 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 3997 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 3997 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 3997 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 3997 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 132189 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 132189 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 64030 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 64030 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 175269 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 175269 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 131570 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 131570 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 64408 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 64408 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 65096 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 65096 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 65109 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 65109 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 132135 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 132135 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 131607 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 131607 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 187753 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 187753 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 131578 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 131578 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 193205 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 193205 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 187981 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 187981 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 179092 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 179092 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 14986 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 14986 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 64927 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 64927 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 187985 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 187985 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 188011 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 188011 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 192459 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 192459 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 132173 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 132173 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 7036 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 7036 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 191563 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 191563 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 131590 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 131590 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 190740 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 190740 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 132194 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 132194 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 179831 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 179831 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 65065 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 65065 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 122757 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 122757 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 64395 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 64395 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 65104 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 65104 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 64176 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 64176 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 64920 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 64920 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 131573 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 131573 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 187790 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 187790 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 187977 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 187977 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 172989 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 172989 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 173579 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 173579 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 64406 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 64406 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 64404 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 64404 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 140773 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 140773 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 131548 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 131548 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 131552 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 131552 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 172158 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 172158 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 64914 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 64914 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 64396 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 64396 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 65055 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 65055 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 188042 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 188042 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 150198 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 150198 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 65115 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 65115 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 172262 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 172262 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 65102 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 65102 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 65108 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 65108 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 64024 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 64024 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 195993 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 195993 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 111037 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 111037 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 195748 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 195748 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 147863 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 147863 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 131598 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 131598 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 192949 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 192949 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 14994 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 14994 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 188142 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 188142 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 14985 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 14985 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 124458 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 124458 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 64928 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 64928 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 64409 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 64409 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 64028 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 64028 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 136824 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 136824 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 6523 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 6523 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 132171 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 132171 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 132160 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 132160 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 179378 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 179378 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 122765 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 122765 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 170338 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 170338 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 172081 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 172081 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 191816 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 191816 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 65068 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 65068 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 65101 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 65101 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 1285 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 1285 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 1285 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 178016 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 178016 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 75526 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 75526 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 140843 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 140843 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 193184 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 193184 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 131575 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 131575 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 7035 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 7035 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 7000 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 7000 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 76485 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 76485 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 76483 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 76483 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 76484 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 76484 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 428 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 428 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 428 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 7003 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 7003 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 7006 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 7006 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 187905 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 187905 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 75524 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 75524 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 187750 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 187750 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 14987 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 14987 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 6744 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 6744 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 3997 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 3997 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 3997 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 3997 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 3997 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 6425 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 6425 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 132197 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 132197 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 132166 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 132166 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 131556 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 131556 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 132204 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 132204 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 132165 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 132165 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 64913 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 64913 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 196173 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 196173 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 196622 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 196622 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 111030 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 111030 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 64893 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 64893 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 64126 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 64126 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 80837 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 80837 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 14986 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 14986 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 80823 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 80823 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 131577 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 131577 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 64928 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 64928 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 64391 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 64391 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 64403 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 64403 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 191370 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 191370 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 76489 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 76489 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 76495 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 76495 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 131587 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 131587 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 174288 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 174288 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 64915 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 64915 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 64917 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 64917 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 64173 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 64173 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 122762 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 122762 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 187753 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 187753 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 187985 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 187985 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 172182 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 172182 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 65063 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 65063 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 152110 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 152110 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 188009 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 188009 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 6421 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 6421 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 131568 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 131568 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 140728 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 140728 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 6887 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 6887 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 15007 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 15007 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 140862 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 140862 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 188042 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 188042 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 131608 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 131608 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 64402 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 64402 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 64410 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 64410 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 187985 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 187985 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 6897 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 6897 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 132172 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 132172 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 132202 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 132202 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 173279 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 173279 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 65082 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 65082 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 64023 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 64023 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 64118 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 64118 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 152177 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 152177 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 65066 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 65066 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 65071 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 65071 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 170941 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 170941 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 185266 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 185266 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 187823 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 187823 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 192949 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 192949 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 193205 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 193205 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 64896 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 64896 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 187750 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 187750 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 3997 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 3997 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 3997 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 3997 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 3997 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 132168 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 132168 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 64891 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 64891 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 64392 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 64392 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 188009 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 188009 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 65107 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 65107 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 80834 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 80834 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 131602 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 131602 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 7321 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 7321 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 140794 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 140794 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 131565 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 131565 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 156095 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 156095 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 74786 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 74786 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 131574 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 131574 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 179378 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 179378 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 64897 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 64897 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 146738 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 146738 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 153580 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 153580 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 131564 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 131564 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 188011 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 188011 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 188142 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 188142 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 187792 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 187792 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 131576 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 131576 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 165447 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 165447 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 187905 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 187905 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 187985 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 187985 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 3466 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 3466 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 3466 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 65114 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 65114 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 131583 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 131583 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 131614 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 131614 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 131617 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 131617 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 64115 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 64115 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 65103 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 65103 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 188067 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 188067 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 131580 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 131580 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 187750 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 187750 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 188009 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 188009 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 187824 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 187824 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 132147 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 132147 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 132179 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 132179 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 174823 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 174823 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 64919 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 64919 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 140745 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 140745 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 148880 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 148880 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 187981 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 187981 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 193205 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 193205 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 111019 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 111019 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 111029 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 111029 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 111032 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 111032 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 149918 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 149918 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 179360 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 179360 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 64918 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 64918 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 111015 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 111015 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 6945 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 6945 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 179277 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 179277 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 192459 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 192459 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 131612 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 131612 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 132145 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 132145 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 173350 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 173350 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 1285 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 1285 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 1285 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 65096 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 65096 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 65097 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 65097 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 64119 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 64119 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 64120 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 64120 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 64169 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 64169 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 74769 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 74769 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 147773 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 147773 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 132140 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 132140 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 177188 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 177188 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 187792 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 187792 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 179644 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 179644 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 132167 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 132167 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 132209 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 132209 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 132199 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 132199 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 173001 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 173001 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 64895 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 64895 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 64921 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 64921 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 152568 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 152568 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 65105 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 65105 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 187981 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 187981 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 140736 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 140736 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 132134 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 132134 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 179360 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 179360 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 131561 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 131561 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 188068 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 188068 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 173888 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 173888 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 15073 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 15073 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 65113 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 65113 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 7004 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 7004 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 6618 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 6618 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 6806 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 6806 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 169929 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 169929 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 180155 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 180155 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 64888 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 64888 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 188011 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 188011 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 132153 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 132153 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 132187 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 132187 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 64908 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 64908 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 64924 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 64924 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 74769 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 74769 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 111024 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 111024 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 196723 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 196723 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 174036 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 174036 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 187791 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 187791 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 177522 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 177522 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 174844 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 174844 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 132184 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 132184 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 64167 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 64167 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 196110 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 196110 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 171394 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 171394 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 140779 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 140779 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 179644 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 179644 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 64898 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 64898 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 64406 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 64406 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 131550 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 131550 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 132137 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 132137 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 131551 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 131551 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 64892 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 64892 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 65100 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 65100 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 64035 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 64035 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 126828 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 126828 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 140734 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 140734 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 142502 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 142502 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 193184 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 193184 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 14995 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 14995 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 132192 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 132192 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 65113 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 65113 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 132155 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 132155 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 132203 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 132203 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 132136 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 132136 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 64917 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 64917 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 196404 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 196404 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 14995 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 14995 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 187750 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 187750 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 188011 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 188011 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 177049 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 177049 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 131555 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 131555 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 188284 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 188284 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 64922 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 64922 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 65087 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 65087 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 196457 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 196457 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 64894 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 64894 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 65106 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 65106 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 122759 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 122759 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 165447 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 165447 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 131558 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 131558 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 191370 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 191370 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 64390 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 64390 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 75522 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 75522 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 193184 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 193184 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 428 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 428 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 428 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 131591 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 131591 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 174288 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 174288 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 65088 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 65088 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 65111 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 65111 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 111025 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 111025 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 80837 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 80837 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 65058 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 65058 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 140833 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 140833 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 131566 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 131566 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 132161 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 132161 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 188284 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 188284 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 64926 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 64926 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 195417 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 195417 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 192949 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 192949 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 187948 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 187948 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 132151 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 132151 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 131559 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 131559 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 64908 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 64908 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 174794 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 174794 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 65105 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 65105 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 174794 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 174794 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 140806 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 140806 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 188142 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 188142 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 187746 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 187746 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 171769 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 171769 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 185266 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 185266 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 131593 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 131593 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 132188 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 132188 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 64925 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 64925 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 65058 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 65058 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 64116 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 64116 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 111031 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 111031 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 188093 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 188093 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 174453 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 174453 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 188093 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 188093 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 64932 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 64932 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 131589 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 131589 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 3997 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 3997 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 3997 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 3997 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 3997 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 132138 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 132138 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 64924 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 64924 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 175754 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 175754 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 172199 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 172199 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 187753 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 187753 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 81477 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 81477 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 179829 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 179829 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 64401 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 64401 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 3743 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 3743 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 3743 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 3743 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 7172 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 7172 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 3466 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 3466 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 3466 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 196579 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 196579 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 132176 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 132176 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 132191 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 132191 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 131586 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 131586 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 15007 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 15007 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 131601 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 131601 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 64916 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 64916 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 80837 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 80837 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 64110 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 64110 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 80826 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 80826 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 80828 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 80828 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 80833 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 80833 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 188093 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 188093 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 131560 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 131560 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 192133 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 192133 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 122755 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 122755 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 172787 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 172787 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 122754 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 122754 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 111018 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 111018 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 111035 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 111035 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 65098 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 65098 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 187823 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 187823 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 131563 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 131563 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 170175 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 170175 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 64898 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 64898 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 64399 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 64399 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 64403 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 64403 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 136692 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 136692 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 76493 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 76493 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 187986 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 187986 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 131610 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 131610 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 132141 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 132141 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 65095 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 65095 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 111028 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 111028 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 64918 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 64918 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 187823 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 187823 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 75520 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 75520 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 131571 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 131571 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 80838 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 80838 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 175214 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 175214 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 140785 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 140785 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 177871 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 177871 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 76494 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 76494 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 132150 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 132150 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 112157 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 112157 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 64161 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 111027 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 111027 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 187948 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 187948 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 65115 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 65115 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 75521 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 75521 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 151229 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 151229 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 64397 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 64397 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 66278 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 66278 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 66281 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 66281 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 64889 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 64889 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 195755 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 195755 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 65072 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 65072 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 174362 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 174362 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 140759 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 140759 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 3997 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 3997 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 3997 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 3997 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 3997 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 173579 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 173579 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 64906 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 64906 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 64910 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 64910 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 64907 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 64907 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 187790 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 187790 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 162522 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 162522 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 170739 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 170739 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 64164 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 64164 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 162522 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 162522 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 64031 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 64031 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 132195 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 132195 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 64926 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 64926 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 65086 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 65086 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 65056 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 65056 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 153288 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 153288 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 64390 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 64390 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 187905 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 187905 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 64897 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 64897 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 65081 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 65081 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 65110 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 65110 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 64166 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 64166 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 65108 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 65108 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 188142 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 188142 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 178043 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 178043 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 132144 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 132144 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 179376 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 179376 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 64921 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 64921 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 65089 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 65089 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 64894 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 64894 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 187905 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 187905 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 64931 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 64931 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 74797 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 74797 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 428 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 428 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 428 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 196214 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 196214 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 76479 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 76479 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 76486 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 76486 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 1803 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 1803 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 1803 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 1803 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 1803 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 3997 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 3997 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 3997 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 3997 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 3997 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 75518 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 75518 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 75523 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 75523 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 15006 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 15006 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 3997 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 3997 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 3997 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 3997 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 3997 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 7005 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 7005 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 7037 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 7037 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 7295 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 7295 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 122753 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 122753 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 107517 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 107517 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 193908 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 122756 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 122756 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 80821 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 80821 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 80831 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 80831 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 80832 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 80832 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 80835 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 80835 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 33994 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 33994 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 174637 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 174637 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 64906 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 64906 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 64916 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 64916 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 65084 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 65084 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 64038 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 64038 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 131557 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 131557 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 132201 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 132201 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 131569 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 131569 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 131618 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 131618 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 153344 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 153344 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 64912 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 64912 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 64396 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 64396 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 111017 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 111017 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 64915 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 64915 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 192676 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 192676 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 131592 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 131592 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 132185 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 132185 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 173874 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 173874 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 172770 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 172770 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 64907 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 64907 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 191370 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 191370 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 132170 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 132170 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 171934 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 171934 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 111021 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 111021 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 140856 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 140856 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 177044 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 177044 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 169658 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 169658 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 34615 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 34615 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 172770 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 172770 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 131588 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 131588 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 132159 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 132159 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 170993 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 170993 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 169924 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 169924 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 64911 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 64911 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 132175 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 132175 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 153167 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 153167 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 175871 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 175871 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 188010 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 188010 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 179091 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 179091 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 64931 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 64931 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 187986 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 187986 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 3997 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 3997 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 3997 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 3997 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 3997 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 131554 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 131554 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 107517 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 107517 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 64409 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 64409 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 64925 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 64925 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 80837 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 80837 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 65062 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 65062 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 80825 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 80825 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 185266 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 185266 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 76052 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 76052 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 64171 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 64171 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 65061 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 65061 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 64033 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 64033 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 74784 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 74784 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 131595 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 131595 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 189959 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 189959 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 64909 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 64909 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 195141 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 195141 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 64923 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 64923 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 1285 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 1285 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 1285 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 122753 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 122753 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 15006 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 15006 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 131594 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 131594 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 65060 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 65060 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 187824 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 187824 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 132163 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 132163 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 64922 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 64922 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 64394 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 64394 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 111039 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 111039 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 187792 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 187792 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 188010 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 188010 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 132200 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 132200 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 185266 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 185266 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 131600 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 131600 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 64895 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 64895 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 64393 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 64393 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 65085 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 65085 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 64399 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 64399 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 64027 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 64027 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 195649 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 195649 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 177059 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 177059 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 176185 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 176185 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 187904 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 187904 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 188015 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 188015 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 64392 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 64392 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 65112 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 65112 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 111014 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 111014 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 187948 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 187948 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 64890 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 64890 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 192676 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 192676 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 179822 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 179822 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 179829 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 179829 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 64407 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 64407 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 3997 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 3997 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 3997 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 3997 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 3997 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 65114 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 65114 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 76487 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 76487 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 6619 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 6619 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 169945 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 169945 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 169929 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 169929 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 169945 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 169945 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 132206 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 132206 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 7001 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 7001 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 64391 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 64391 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 192459 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 192459 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 196315 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 196315 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 64122 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 64122 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 190951 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 190951 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 65065 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 65065 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 64891 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 64891 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 80829 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 80829 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 188015 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 188015 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 131599 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 131599 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 178199 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 178199 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 64896 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 64896 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 75525 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 75525 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 132158 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 132158 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 131611 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 131611 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 195150 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 195150 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 187790 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 187790 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 187979 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 187979 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 188010 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 188010 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 188042 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 188042 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 174845 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 174845 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 3997 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 3997 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 3997 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 3997 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 3997 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 192608 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 192608 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 111033 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 111033 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 131549 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 131549 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 65067 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 65067 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 65094 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 65094 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 33994 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 33994 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 177931 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 177931 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 65112 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 65112 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 64398 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 64398 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 64170 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 64170 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 131572 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 131572 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 180154 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 180154 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 64165 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 64165 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 187824 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 187824 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 138375 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 138375 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 64037 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 64037 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 3739 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 3739 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 3739 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 188010 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 188010 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 179376 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 179376 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 64909 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 64909 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 65059 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 65059 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 111020 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 111020 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 179377 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 179377 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 64930 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 64930 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 428 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 428 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 428 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 15008 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 15008 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 175041 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 175041 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 175041 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 175041 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 64923 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 64923 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 132205 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 132205 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 80822 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 80822 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 80824 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 80824 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 80830 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 80830 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 173778 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 173778 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 175736 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 175736 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 170347 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 170347 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 64889 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 64889 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 122758 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 122758 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 80833 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 80833 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 179646 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 179646 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 192676 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 192676 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 132162 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 132162 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 188015 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 188015 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 14987 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 14987 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 131585 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 131585 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 64172 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 64172 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 153447 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 153447 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 132193 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 132193 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 156095 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 156095 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 188042 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 188042 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 65109 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 65109 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 64920 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 64920 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 65104 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 65104 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 180157 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 180157 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 111026 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 111026 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 120988 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 120988 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 64026 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 64026 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 64032 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 64032 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 75519 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 75519 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 64162 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 64162 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 80833 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 80833 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 170586 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 170586 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 64125 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 64125 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 64174 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 64174 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 111038 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 111038 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 179822 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 179822 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 64407 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 64407 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 76488 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 76488 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 76492 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 76492 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 172079 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 172079 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 6593 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 6593 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 151827 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 151827 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 132149 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 132149 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 187791 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 187791 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 131597 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 131597 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 158484 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 158484 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 195203 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 195203 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 196588 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 196588 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 64910 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 64910 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 6522 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 6522 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 64890 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 64890 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 111036 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 111036 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 188067 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 188067 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 187791 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 187791 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 169968 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 169968 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 140737 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 140737 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 132164 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 132164 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 64117 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 64117 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 171992 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 171992 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 179116 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 179116 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 131615 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 131615 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 177109 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 177109 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 64123 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 64123 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 122760 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 122760 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 64390 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 64390 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 192608 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 192608 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 132181 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 132181 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 64914 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 64914 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 196278 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 196278 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 193184 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 193184 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 138375 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 138375 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 6550 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 6550 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 111034 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 111034 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 132210 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 132210 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 187904 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 187904 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 64919 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 64919 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 177342 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 177342 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 177968 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 177968 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 1285 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 1285 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 1285 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 1285 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 1285 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 1285 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 177105 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 177105 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 177978 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 177978 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 3997 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 3997 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 3997 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 3997 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 3997 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 3997 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 3997 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 3997 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 3997 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 3997 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 1285 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 1285 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 1285 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 3997 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 3997 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 3997 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 3997 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 3997 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 63409 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 63409 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 74638 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 74638 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 1285 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 1285 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 1285 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 174844 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 174844 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 175160 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 175160 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 175871 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 175871 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 81527 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 81527 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 94990 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 94990 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 173888 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 173888 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 141770 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 141770 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 66618 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 66618 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 81527 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 81527 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 159793 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 159793 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 1285 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 1285 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 1285 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 94990 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 94990 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 169924 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 169924 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 16399 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 16399 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 3639 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 3639 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 3639 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 3639 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 3639 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 16399 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 16399 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 84806 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 84806 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 2678 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 2678 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 2678 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 66618 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 66618 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 3997 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 3997 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 3997 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 3997 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 3997 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 3639 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 3639 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 3639 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 3639 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 3639 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 3466 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 3466 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 3466 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 3997 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 3997 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 3997 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 3997 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 3997 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 3639 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 3639 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 3639 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 3639 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 3639 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