Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
3635 | 9511 | 44 | None | 1698 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 361 | 16 | 2 | 2 | 5.3 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O | 10.1016/j.ejmech.2018.05.050 | ||
5283389 | 9511 | 44 | None | 1698 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 361 | 16 | 2 | 2 | 5.3 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL161343 | 9511 | 44 | None | 1698 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 361 | 16 | 2 | 2 | 5.3 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O | 10.1016/j.ejmech.2018.05.050 | ||
3635 | 9511 | 44 | None | 1698 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 361 | 16 | 2 | 2 | 5.3 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O | 10.1016/j.ejmech.2018.05.050 | ||
5283389 | 9511 | 44 | None | 1698 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 361 | 16 | 2 | 2 | 5.3 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL161343 | 9511 | 44 | None | 1698 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 361 | 16 | 2 | 2 | 5.3 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O | 10.1016/j.ejmech.2018.05.050 | ||
145958405 | 168858 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 464 | 10 | 0 | 5 | 6.0 | Cc1cccc(C)c1OCCCCCCOc1cccc(/C=C2\N=C3SCCCN3C2=O)c1 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4160778 | 168858 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 464 | 10 | 0 | 5 | 6.0 | Cc1cccc(C)c1OCCCCCCOc1cccc(/C=C2\N=C3SCCCN3C2=O)c1 | 10.1016/j.ejmech.2018.05.050 | ||
145974549 | 169837 | 0 | None | 3 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 456 | 9 | 0 | 5 | 5.6 | O=C1/C(=C/c2cccc(OCCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4176317 | 169837 | 0 | None | 3 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 456 | 9 | 0 | 5 | 5.6 | O=C1/C(=C/c2cccc(OCCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
145954189 | 169439 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 12 | 0 | 5 | 6.8 | O=C1/C(=C/c2cccc(OCCCCCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4169939 | 169439 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 12 | 0 | 5 | 6.8 | O=C1/C(=C/c2cccc(OCCCCCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
145958034 | 169021 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 358 | 4 | 1 | 4 | 4.1 | CSC1=NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N1 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4163505 | 169021 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 358 | 4 | 1 | 4 | 4.1 | CSC1=NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N1 | 10.1016/j.ejmech.2018.05.050 | ||
145952824 | 169412 | 0 | None | 4 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 378 | 6 | 0 | 4 | 4.4 | O=C1/C(=C/c2cccc(OCCCc3ccccc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4169536 | 169412 | 0 | None | 4 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 378 | 6 | 0 | 4 | 4.4 | O=C1/C(=C/c2cccc(OCCCc3ccccc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
145956612 | 168771 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 484 | 11 | 0 | 5 | 6.4 | O=C1/C(=C/c2cccc(OCCCCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4159298 | 168771 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 484 | 11 | 0 | 5 | 6.4 | O=C1/C(=C/c2cccc(OCCCCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
145954816 | 169336 | 0 | None | 26 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 428 | 4 | 0 | 4 | 4.7 | O=C1/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4168388 | 169336 | 0 | None | 26 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 428 | 4 | 0 | 4 | 4.7 | O=C1/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
145958480 | 168954 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 512 | 6 | 1 | 4 | 6.4 | O=C1NC(SCc2ccc(Br)cc2)=N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4162436 | 168954 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 512 | 6 | 1 | 4 | 6.4 | O=C1NC(SCc2ccc(Br)cc2)=N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 | 10.1016/j.ejmech.2018.05.050 | ||
145951064 | 169740 | 0 | None | 12 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 450 | 10 | 0 | 5 | 5.7 | Cc1ccc(OCCCCCCOc2cccc(/C=C3\N=C4SCCCN4C3=O)c2)cc1 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4174825 | 169740 | 0 | None | 12 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 450 | 10 | 0 | 5 | 5.7 | Cc1ccc(OCCCCCCOc2cccc(/C=C3\N=C4SCCCN4C3=O)c2)cc1 | 10.1016/j.ejmech.2018.05.050 | ||
145950071 | 169546 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 442 | 8 | 0 | 5 | 5.3 | O=C1/C(=C/c2cccc(OCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4171815 | 169546 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 442 | 8 | 0 | 5 | 5.3 | O=C1/C(=C/c2cccc(OCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
145958551 | 169071 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 464 | 11 | 0 | 5 | 5.9 | CCc1ccc(OCCCCCCOc2cccc(/C=C3\N=C4SCCCN4C3=O)c2)cc1 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4164171 | 169071 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 464 | 11 | 0 | 5 | 5.9 | CCc1ccc(OCCCCCCOc2cccc(/C=C3\N=C4SCCCN4C3=O)c2)cc1 | 10.1016/j.ejmech.2018.05.050 | ||
145958428 | 168885 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 428 | 7 | 0 | 5 | 4.9 | O=C1/C(=C/c2cccc(OCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4161205 | 168885 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 428 | 7 | 0 | 5 | 4.9 | O=C1/C(=C/c2cccc(OCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
10871668 | 168800 | 1 | None | -1 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 344 | 4 | 2 | 3 | 3.3 | O=C1NC(=S)N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4159707 | 168800 | 1 | None | -1 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 344 | 4 | 2 | 3 | 3.3 | O=C1NC(=S)N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 | 10.1016/j.ejmech.2018.05.050 | ||
145951404 | 169628 | 0 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 364 | 4 | 0 | 4 | 4.3 | Cc1ccc(COc2cccc(/C=C3\N=C4SCCCN4C3=O)c2)cc1 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4172931 | 169628 | 0 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 364 | 4 | 0 | 4 | 4.3 | Cc1ccc(COc2cccc(/C=C3\N=C4SCCCN4C3=O)c2)cc1 | 10.1016/j.ejmech.2018.05.050 | ||
145971274 | 169888 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 448 | 7 | 1 | 4 | 5.7 | O=C1NC(SCCc2ccccc2)=N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4177155 | 169888 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 448 | 7 | 1 | 4 | 5.7 | O=C1NC(SCCc2ccccc2)=N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 | 10.1016/j.ejmech.2018.05.050 | ||
145960178 | 168915 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 414 | 6 | 0 | 5 | 4.5 | O=C1/C(=C/c2cccc(OCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4161619 | 168915 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 414 | 6 | 0 | 5 | 4.5 | O=C1/C(=C/c2cccc(OCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
145953879 | 169342 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 470 | 10 | 0 | 5 | 6.0 | O=C1/C(=C/c2cccc(OCCCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
CHEMBL4168457 | 169342 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 470 | 10 | 0 | 5 | 6.0 | O=C1/C(=C/c2cccc(OCCCCCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1016/j.ejmech.2018.05.050 | ||
4150 | 7575 | 39 | None | -7 | 15 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | None | ||
5288 | 7575 | 39 | None | -7 | 15 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | None | ||
644019 | 7575 | 39 | None | -7 | 15 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | None | ||
CHEMBL190461 | 7575 | 39 | None | -7 | 15 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | None | ||
DB09061 | 7575 | 39 | None | -7 | 15 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | None | ||
16078 | 8144 | 22 | None | -58 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | None | ||
2424 | 8144 | 22 | None | -58 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | None | ||
4109 | 8144 | 22 | None | -58 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | None | ||
CHEMBL465 | 8144 | 22 | None | -58 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | None | ||
DB00470 | 8144 | 22 | None | -58 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | None | ||
2125 | 7167 | 85 | None | -4466 | 4 | Human | 4.0 | pEC50 | = | 4.0 | Functional | Guide to Pharmacology | 554 | 4 | 1 | 4 | 5.9 | Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 21595653 | ||
3317 | 7167 | 85 | None | -4466 | 4 | Human | 4.0 | pEC50 | = | 4.0 | Functional | Guide to Pharmacology | 554 | 4 | 1 | 4 | 5.9 | Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 21595653 | ||
CHEMBL285932 | 7167 | 85 | None | -4466 | 4 | Human | 4.0 | pEC50 | = | 4.0 | Functional | Guide to Pharmacology | 554 | 4 | 1 | 4 | 5.9 | Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 21595653 | ||
4150 | 7575 | 39 | None | -7 | 15 | Human | 4.3 | pEC50 | = | 4.3 | Functional | Guide to Pharmacology | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 21595653 | ||
5288 | 7575 | 39 | None | -7 | 15 | Human | 4.3 | pEC50 | = | 4.3 | Functional | Guide to Pharmacology | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 21595653 | ||
644019 | 7575 | 39 | None | -7 | 15 | Human | 4.3 | pEC50 | = | 4.3 | Functional | Guide to Pharmacology | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 21595653 | ||
CHEMBL190461 | 7575 | 39 | None | -7 | 15 | Human | 4.3 | pEC50 | = | 4.3 | Functional | Guide to Pharmacology | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 21595653 | ||
DB09061 | 7575 | 39 | None | -7 | 15 | Human | 4.3 | pEC50 | = | 4.3 | Functional | Guide to Pharmacology | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 21595653 | ||
5311007 | 7247 | 26 | None | -33 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 343 | 15 | 1 | 1 | 6.4 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1 | 21595653 | ||
739 | 7247 | 26 | None | -33 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 343 | 15 | 1 | 1 | 6.4 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1 | 21595653 | ||
CHEMBL418353 | 7247 | 26 | None | -33 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 343 | 15 | 1 | 1 | 6.4 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1 | 21595653 | ||
2364 | 7201 | 36 | None | -208 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 347 | 16 | 2 | 2 | 5.2 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO | 21595653 | ||
5281969 | 7201 | 36 | None | -208 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 347 | 16 | 2 | 2 | 5.2 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO | 21595653 | ||
CHEMBL15848 | 7201 | 36 | None | -208 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 347 | 16 | 2 | 2 | 5.2 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO | 21595653 | ||
16078 | 8144 | 22 | None | -58 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 21595653 | ||
16078 | 8144 | 22 | None | -58 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 22014123 | ||
2424 | 8144 | 22 | None | -58 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 21595653 | ||
2424 | 8144 | 22 | None | -58 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 22014123 | ||
4109 | 8144 | 22 | None | -58 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 21595653 | ||
4109 | 8144 | 22 | None | -58 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 22014123 | ||
CHEMBL465 | 8144 | 22 | None | -58 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 21595653 | ||
CHEMBL465 | 8144 | 22 | None | -58 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 22014123 | ||
DB00470 | 8144 | 22 | None | -58 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 21595653 | ||
DB00470 | 8144 | 22 | None | -58 | 8 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 22014123 | ||
5526 | 7012 | 33 | None | -36 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | Guide to Pharmacology | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)cc(c1[C@@H]1C=C(C)CC[C@H]1C(=C)C)O | 21595653 | ||
89949 | 7012 | 33 | None | -36 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | Guide to Pharmacology | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)cc(c1[C@@H]1C=C(C)CC[C@H]1C(=C)C)O | 21595653 | ||
CHEMBL499876 | 7012 | 33 | None | -36 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | Guide to Pharmacology | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)cc(c1[C@@H]1C=C(C)CC[C@H]1C(=C)C)O | 21595653 | ||
11081 | 9991 | 5 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | None | ||
44437220 | 9991 | 5 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | None | ||
CHEMBL239232 | 9991 | 5 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | None | ||
45073499 | 9675 | 38 | None | -22 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 258 | 2 | 2 | 2 | 4.4 | CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(C)cc(cc1O)O | 21595653 | ||
5525 | 9675 | 38 | None | -22 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 258 | 2 | 2 | 2 | 4.4 | CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(C)cc(cc1O)O | 21595653 | ||
CHEMBL3402654 | 9675 | 38 | None | -22 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 258 | 2 | 2 | 2 | 4.4 | CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(C)cc(cc1O)O | 21595653 | ||
13424 | 9993 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 446 | 6 | 2 | 7 | 2.8 | N1C=C(C2=CC=CC=C12)CCNC3=NC=4N(C(N(C(C4N3CC5=CC=C(C=C5)F)=O)C)=O)C | 38885438 | ||
4874768 | 9993 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 446 | 6 | 2 | 7 | 2.8 | N1C=C(C2=CC=CC=C12)CCNC3=NC=4N(C(N(C(C4N3CC5=CC=C(C=C5)F)=O)C)=O)C | 38885438 | ||
3635 | 9511 | 44 | None | 1698 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 361 | 16 | 2 | 2 | 5.3 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O | 21595653 | ||
5283389 | 9511 | 44 | None | 1698 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 361 | 16 | 2 | 2 | 5.3 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O | 21595653 | ||
CHEMBL161343 | 9511 | 44 | None | 1698 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 361 | 16 | 2 | 2 | 5.3 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O | 21595653 | ||
13425 | 9992 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 462 | 6 | 2 | 7 | 3.3 | N1C=C(C2=CC=CC=C12)CCNC3=NC=4N(C(N(C(C4N3CC5=CC=C(C=C5)Cl)=O)C)=O)C | 38885438 | ||
4874764 | 9992 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 462 | 6 | 2 | 7 | 3.3 | N1C=C(C2=CC=CC=C12)CCNC3=NC=4N(C(N(C(C4N3CC5=CC=C(C=C5)Cl)=O)C)=O)C | 38885438 | ||
104850 | 10103 | 96 | None | -69 | 28 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | None | ||
4150 | 10103 | 96 | None | -69 | 28 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | None | ||
743 | 10103 | 96 | None | -69 | 28 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | None | ||
CHEMBL111 | 10103 | 96 | None | -69 | 28 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | None | ||
DB06155 | 10103 | 96 | None | -69 | 28 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | None |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
104850 | 10103 | 96 | None | - | 6 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1039/C3MD00394A | |||
4150 | 10103 | 96 | None | - | 6 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1039/C3MD00394A | |||
743 | 10103 | 96 | None | - | 6 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1039/C3MD00394A | |||
CHEMBL111 | 10103 | 96 | None | - | 6 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1039/C3MD00394A | |||
DB06155 | 10103 | 96 | None | - | 6 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1039/C3MD00394A | |||
162656142 | 187719 | 1 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 392 | 3 | 1 | 7 | 1.8 | Cn1c(=O)c2c(nc3n2CCCCN3CCc2c[nH]c3ccccc23)n(C)c1=O | 10.1021/acsmedchemlett.0c00208 | |||
CHEMBL4758188 | 187719 | 1 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 392 | 3 | 1 | 7 | 1.8 | Cn1c(=O)c2c(nc3n2CCCCN3CCc2c[nH]c3ccccc23)n(C)c1=O | 10.1021/acsmedchemlett.0c00208 | |||
16078 | 8144 | 22 | None | - | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1039/C3MD00394A | |||
2424 | 8144 | 22 | None | - | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1039/C3MD00394A | |||
4109 | 8144 | 22 | None | - | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1039/C3MD00394A | |||
CHEMBL465 | 8144 | 22 | None | - | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1039/C3MD00394A | |||
DB00470 | 8144 | 22 | None | - | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1039/C3MD00394A | |||
16078 | 8144 | 22 | None | - | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1021/jm4005175 | |||
2424 | 8144 | 22 | None | - | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1021/jm4005175 | |||
4109 | 8144 | 22 | None | - | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1021/jm4005175 | |||
CHEMBL465 | 8144 | 22 | None | - | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1021/jm4005175 | |||
DB00470 | 8144 | 22 | None | - | 6 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1021/jm4005175 | |||
11081 | 9991 | 5 | None | - | 6 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | 10.1021/acsmedchemlett.0c00208 | |||
44437220 | 9991 | 5 | None | - | 6 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | 10.1021/acsmedchemlett.0c00208 | |||
CHEMBL239232 | 9991 | 5 | None | - | 6 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | 10.1021/acsmedchemlett.0c00208 | |||
162663623 | 188811 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 364 | 3 | 1 | 7 | 1.0 | Cn1c(=O)c2c(nc3n2CCN3CCc2c[nH]c3ccccc23)n(C)c1=O | 10.1021/acsmedchemlett.0c00208 | |||
CHEMBL4780863 | 188811 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 364 | 3 | 1 | 7 | 1.0 | Cn1c(=O)c2c(nc3n2CCN3CCc2c[nH]c3ccccc23)n(C)c1=O | 10.1021/acsmedchemlett.0c00208 | |||
104895 | 7967 | 25 | None | - | 5 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 376 | 10 | 3 | 3 | 5.7 | CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C | 10.1039/C3MD00394A | |||
730 | 7967 | 25 | None | - | 5 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 376 | 10 | 3 | 3 | 5.7 | CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C | 10.1039/C3MD00394A | |||
734 | 7967 | 25 | None | - | 5 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 376 | 10 | 3 | 3 | 5.7 | CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C | 10.1039/C3MD00394A | |||
CHEMBL559612 | 7967 | 25 | None | - | 5 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 376 | 10 | 3 | 3 | 5.7 | CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C | 10.1039/C3MD00394A | |||
16078 | 8144 | 22 | None | - | 6 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1039/C3MD00394A | |||
2424 | 8144 | 22 | None | - | 6 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1039/C3MD00394A | |||
4109 | 8144 | 22 | None | - | 6 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1039/C3MD00394A | |||
CHEMBL465 | 8144 | 22 | None | - | 6 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1039/C3MD00394A | |||
DB00470 | 8144 | 22 | None | - | 6 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 5.7 | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C | 10.1039/C3MD00394A | |||
1281706 | 116281 | 1 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 336 | 3 | 0 | 4 | 4.2 | O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
CHEMBL3221186 | 116281 | 1 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 336 | 3 | 0 | 4 | 4.2 | O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
90667660 | 116290 | 0 | None | - | 3 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 364 | 4 | 0 | 4 | 4.3 | O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCCN12 | 10.1039/C3MD00394A | |||
CHEMBL3221197 | 116290 | 0 | None | - | 3 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 364 | 4 | 0 | 4 | 4.3 | O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCCN12 | 10.1039/C3MD00394A | |||
71682799 | 97346 | 0 | None | - | 2 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 370 | 7 | 0 | 3 | 5.8 | CCCCCc1cc(OC)c2cc(Cc3ccc(Cl)cc3)c(=O)oc2c1 | 10.1021/jm4005175 | |||
CHEMBL2387530 | 97346 | 0 | None | - | 2 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 370 | 7 | 0 | 3 | 5.8 | CCCCCc1cc(OC)c2cc(Cc3ccc(Cl)cc3)c(=O)oc2c1 | 10.1021/jm4005175 | |||
104850 | 10103 | 96 | None | - | 6 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1021/jm4005175 | |||
4150 | 10103 | 96 | None | - | 6 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1021/jm4005175 | |||
743 | 10103 | 96 | None | - | 6 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1021/jm4005175 | |||
CHEMBL111 | 10103 | 96 | None | - | 6 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1021/jm4005175 | |||
DB06155 | 10103 | 96 | None | - | 6 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1021/jm4005175 | |||
71682637 | 97395 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 322 | 4 | 0 | 3 | 4.8 | COc1ccccc1Cc1cc2c(C)ccc(C(C)C)c2oc1=O | 10.1021/jm4005175 | |||
CHEMBL2387744 | 97395 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 322 | 4 | 0 | 3 | 4.8 | COc1ccccc1Cc1cc2c(C)ccc(C(C)C)c2oc1=O | 10.1021/jm4005175 | |||
70678101 | 89812 | 21 | None | - | 2 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 408 | 9 | 2 | 4 | 6.4 | CCCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1 | 10.1021/jm4005175 | |||
CHEMBL2181542 | 89812 | 21 | None | - | 2 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 408 | 9 | 2 | 4 | 6.4 | CCCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1 | 10.1021/jm4005175 | |||
76325292 | 112234 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 435 | 4 | 2 | 2 | 6.5 | COC(C)(C)/C=C/C[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C | 10.1021/np400850g | |||
CHEMBL3120632 | 112234 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 435 | 4 | 2 | 2 | 6.5 | COC(C)(C)/C=C/C[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C | 10.1021/np400850g | |||
11152300 | 116289 | 0 | None | - | 2 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 4.5 | O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N=C2SCCCCN12 | 10.1039/C3MD00394A | |||
CHEMBL3221196 | 116289 | 0 | None | - | 2 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 4.5 | O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N=C2SCCCCN12 | 10.1039/C3MD00394A | |||
90667659 | 116009 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 398 | 3 | 0 | 5 | 4.2 | O=C(Oc1cccc(/C=C2\N=C3SCCCN3C2=O)c1)c1ccc(Cl)cc1 | 10.1039/C3MD00394A | |||
CHEMBL3217791 | 116009 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 398 | 3 | 0 | 5 | 4.2 | O=C(Oc1cccc(/C=C2\N=C3SCCCN3C2=O)c1)c1ccc(Cl)cc1 | 10.1039/C3MD00394A | |||
70678099 | 89810 | 0 | None | - | 2 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 394 | 8 | 2 | 4 | 6.0 | CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1 | 10.1021/jm4005175 | |||
CHEMBL2181540 | 89810 | 0 | None | - | 2 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 394 | 8 | 2 | 4 | 6.0 | CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1 | 10.1021/jm4005175 | |||
90667655 | 116284 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 384 | 4 | 0 | 4 | 4.6 | O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
CHEMBL3221189 | 116284 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 384 | 4 | 0 | 4 | 4.6 | O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
90667656 | 116285 | 0 | None | - | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 418 | 4 | 0 | 4 | 5.2 | O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
CHEMBL3221190 | 116285 | 0 | None | - | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 418 | 4 | 0 | 4 | 5.2 | O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
85469571 | 116283 | 21 | None | - | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 384 | 4 | 0 | 4 | 4.6 | O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
CHEMBL3221188 | 116283 | 21 | None | - | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 384 | 4 | 0 | 4 | 4.6 | O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
11475997 | 116294 | 0 | None | - | 3 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 432 | 4 | 0 | 4 | 5.6 | O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCCN12 | 10.1039/C3MD00394A | |||
CHEMBL3221201 | 116294 | 0 | None | - | 3 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 432 | 4 | 0 | 4 | 5.6 | O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCCN12 | 10.1039/C3MD00394A | |||
104895 | 7967 | 25 | None | - | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 376 | 10 | 3 | 3 | 5.7 | CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C | 10.1021/jm4005175 | |||
730 | 7967 | 25 | None | - | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 376 | 10 | 3 | 3 | 5.7 | CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C | 10.1021/jm4005175 | |||
734 | 7967 | 25 | None | - | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 376 | 10 | 3 | 3 | 5.7 | CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C | 10.1021/jm4005175 | |||
CHEMBL559612 | 7967 | 25 | None | - | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 376 | 10 | 3 | 3 | 5.7 | CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C | 10.1021/jm4005175 | |||
90667657 | 116286 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 418 | 4 | 0 | 4 | 5.2 | O=C1/C(=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
CHEMBL3221191 | 116286 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 418 | 4 | 0 | 4 | 5.2 | O=C1/C(=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
90667658 | 116287 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 364 | 3 | 0 | 5 | 3.6 | O=C(Oc1cccc(/C=C2\N=C3SCCCN3C2=O)c1)c1ccccc1 | 10.1039/C3MD00394A | |||
CHEMBL3221192 | 116287 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 364 | 3 | 0 | 5 | 3.6 | O=C(Oc1cccc(/C=C2\N=C3SCCCN3C2=O)c1)c1ccccc1 | 10.1039/C3MD00394A | |||
90667465 | 116268 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 392 | 3 | 0 | 5 | 4.3 | Cc1ccc(C(=O)Oc2cccc(/C=C3\N=C4SCCCCN4C3=O)c2)cc1 | 10.1039/C3MD00394A | |||
CHEMBL3220943 | 116268 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 392 | 3 | 0 | 5 | 4.3 | Cc1ccc(C(=O)Oc2cccc(/C=C3\N=C4SCCCCN4C3=O)c2)cc1 | 10.1039/C3MD00394A | |||
90667662 | 116293 | 0 | None | - | 2 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 398 | 4 | 0 | 4 | 5.0 | O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)N=C2SCCCCN12 | 10.1039/C3MD00394A | |||
CHEMBL3221200 | 116293 | 0 | None | - | 2 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 398 | 4 | 0 | 4 | 5.0 | O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)N=C2SCCCCN12 | 10.1039/C3MD00394A | |||
90667654 | 116282 | 0 | None | - | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 4 | 0 | 4 | 3.9 | O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
CHEMBL3221187 | 116282 | 0 | None | - | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 4 | 0 | 4 | 3.9 | O=C1/C(=C/c2cccc(OCc3ccccc3)c2)N=C2SCCCN12 | 10.1039/C3MD00394A | |||
70678097 | 89284 | 0 | None | - | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 378 | 8 | 1 | 3 | 6.3 | CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1 | 10.1021/jm4005175 | |||
CHEMBL2177264 | 89284 | 0 | None | - | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 378 | 8 | 1 | 3 | 6.3 | CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1 | 10.1021/jm4005175 | |||
11081 | 9991 | 5 | None | - | 6 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | 10.1021/acsmedchemlett.0c00208 | |||
44437220 | 9991 | 5 | None | - | 6 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | 10.1021/acsmedchemlett.0c00208 | |||
CHEMBL239232 | 9991 | 5 | None | - | 6 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | 10.1021/acsmedchemlett.0c00208 | |||
23643046 | 24614 | 0 | None | - | 2 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 403 | 1 | 1 | 1 | 6.9 | CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 | 10.1021/np400850g | |||
CHEMBL1258979 | 24614 | 0 | None | - | 2 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 403 | 1 | 1 | 1 | 6.9 | CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 | 10.1021/np400850g |