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P21554 | CNR1_HUMAN | Cannabinoid receptor 1 (CNR1)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_2 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL376700 OBDepict Cl N N N H O Cl N Cl Ki = 0.00035 nM 489.83 O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2 Homo sapiens CHEMBL936658 single protein format
CHEMBL2063240 OBDepict Cl N O N N H Cl O O Ki = 0.09 nM 486.4 O=C(NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)C1CCOCC1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL4437741 OBDepict H 3 C N S N O Ki = 0.1 nM 382.57 CCCCCn1/c(=NC(=O)C23CC4CC(CC(C4)C2)C3)sc2ccccc21 Homo sapiens CHEMBL4367878 cell-based format
CHEMBL111724 OBDepict CH 3 CH 3 CH 3 OH O H 3 C H 3 C OH Ki = 0.1 nM 382.54 CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(CO)cc1-2 Homo sapiens CHEMBL657905 single protein format
CHEMBL4559193 OBDepict CH 3 N S N O Ki = 0.11 nM 374.51 CCCCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2ccccc21 Homo sapiens CHEMBL4367878 cell-based format
CHEMBL1801350 OBDepict Br N NH O N H O CH 3 H F N N Cl Ki = 0.12 nM 556.82 C[C@@H](NC(=O)C1(NC(=O)c2cncc(Br)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F Homo sapiens CHEMBL1804296 cell-based format
CHEMBL2063245 OBDepict CH 3 N H HN O N N O Cl Cl Ki = 0.12 nM 445.35 CCNC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL2063246 OBDepict N N H O N N O Cl Cl Ki = 0.13 nM 467.36 N#CC1(C(=O)NC2CCCOc3c2nn(-c2ccccc2Cl)c3-c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL2063237 OBDepict Cl N N O Cl H HN O H 3 C CH 3 Ki = 0.14 nM 444.36 CC(C)C(=O)N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL1093735 OBDepict CH 3 N Cl N Cl N H O Ki = 0.15 nM 460.45 Cc1ccc(C(c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 Homo sapiens CHEMBL1107820 cell-based format
CHEMBL2063236 OBDepict Cl N O N HN Cl O H 3 C CH 3 Ki = 0.16 nM 444.36 CC(C)C(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL4067800 OBDepict CH 3 S O O O N H 3 C N N H O Cl N Cl Ki = 0.18 nM 565.52 CCCCS(=O)(=O)Oc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc(C(=O)NN3CCCCC3)c2C)cc1 Homo sapiens CHEMBL4022829 assay format
CHEMBL1801352 OBDepict O NH N H H 3 C H O F N N N N Cl Ki = 0.18 nM 478.92 C[C@@H](NC(=O)C1(NC(=O)c2cncnc2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F Homo sapiens CHEMBL1804296 cell-based format
CHEMBL1095158 OBDepict Cl N O H N H Cl CH 3 H 3 C O Cl N N H 3 C H IC50 = 0.2 nM 541.87 Cc1c[nH]nc1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21 Homo sapiens CHEMBL1105736 cell-based format
CHEMBL4089947 OBDepict H 3 C CH 3 S O O O N CH 3 N N H O Cl N Cl Ki = 0.2 nM 579.55 Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(C)C)cc1 Homo sapiens CHEMBL4022829 assay format
CHEMBL4469545 OBDepict O N H CH 3 CH 3 CH 3 N N N N N Cl Cl Ki = 0.2 nM 537.5 CC(C)(C)CC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL4387103 cell-based format
CHEMBL1801349 OBDepict Cl N NH O N H O CH 3 H F N N Cl Ki = 0.2 nM 512.37 C[C@@H](NC(=O)C1(NC(=O)c2cncc(Cl)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F Homo sapiens CHEMBL1804296 cell-based format
CHEMBL425047 OBDepict Cl N N N Cl N O F F H 3 C Ki = 0.2 nM 435.26 CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c1=O Homo sapiens CHEMBL859079 cell-based format
CHEMBL1910035 OBDepict CH 3 N H Cl N Cl HN O Ki = 0.2 nM 460.45 Cc1ccc([C@@H](c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 Homo sapiens CHEMBL1912191 cell-based format
CHEMBL1093377 OBDepict Cl Cl N N N H S Ki = 0.2 nM 462.49 S=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL1107820 cell-based format
CHEMBL1095151 OBDepict Cl N O H N H Cl CH 3 H 3 C O Cl H 3 C N H 3 C N H IC50 = 0.2 nM 555.89 Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21 Homo sapiens CHEMBL1105736 cell-based format
CHEMBL1083619 OBDepict Cl N NH O Cl O OH H 3 C H IC50 = 0.2 nM 511.45 C[C@@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 Homo sapiens CHEMBL1120212 single protein format
CHEMBL529213 OBDepict H N N N S N O O N O H H F F F F F F IC50 = 0.2 nM 573.52 O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-c3nnc[nH]3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL1011882 cell-based format
CHEMBL1097841 OBDepict Cl N O H HN Cl H 3 C CH 3 O Cl N N H IC50 = 0.2 nM 527.84 CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 Homo sapiens CHEMBL1105736 cell-based format
CHEMBL529436 OBDepict Cl N Cl N Cl N H O Ki = 0.23 nM 480.87 O=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL1107820 cell-based format
CHEMBL600602 OBDepict CH 3 CH 3 CH 3 OH O H H 3 C H 3 C H CH 3 Ki = 0.24 nM 370.58 CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 Homo sapiens CHEMBL1069625 single protein format
CHEMBL2063243 OBDepict CH 3 O HN O N N O Cl Cl Ki = 0.25 nM 432.31 COC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL4463013 OBDepict CH 3 O N CH 3 NH O N N N N N Cl Cl Ki = 0.26 nM 554.48 COCCN(C)C(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL4364974 cell-based format
CHEMBL2063244 OBDepict H 3 C O CH 3 HN O N N O Cl Cl Ki = 0.26 nM 460.36 CC(C)OC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL3957577 OBDepict Cl N N N Cl N O NH 2 Ki = 0.28 nM 542.47 NC(=O)C1(c2ccccc2)CCC(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL3887605 cell-based format
CHEMBL4065097 OBDepict CH 3 S O O O N H 3 C N N H O Cl N Cl Ki = 0.28 nM 551.5 CCCS(=O)(=O)Oc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc(C(=O)NN3CCCCC3)c2C)cc1 Homo sapiens CHEMBL4022829 assay format
CHEMBL1801087 OBDepict CH 3 O N S N H O NH O CH 3 H F N N Cl Ki = 0.29 nM 513.98 COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)s1 Homo sapiens CHEMBL1804296 cell-based format
CHEMBL1553629 OBDepict H 3 C N N H O H Cl N IC50 = 0.29 nM 409.96 CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12 Homo sapiens CHEMBL4730599 cell-based format
CHEMBL523300 OBDepict H 3 C O CH 3 S N O O N O H H F F F F F F IC50 = 0.3 nM 564.55 CC(C)Oc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)CC2)c1 Homo sapiens CHEMBL1011882 cell-based format
CHEMBL487500 OBDepict O N H H N S O O N N F F F O F F F IC50 = 0.3 nM 574.5 O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-c3ncon3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL1011882 cell-based format
CHEMBL487708 OBDepict H N N S N O O N O H H F F F F F F IC50 = 0.3 nM 572.53 O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-c3ccn[nH]3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL1011882 cell-based format
CHEMBL1801346 OBDepict HO N NH O N H O CH 3 H F N N Cl Ki = 0.3 nM 493.93 C[C@@H](NC(=O)C1(NC(=O)c2cncc(O)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F Homo sapiens CHEMBL1804296 cell-based format
CHEMBL204188 OBDepict Cl N N N Cl N O F F F Ki = 0.3 nM 439.22 O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CC(F)(F)F Homo sapiens CHEMBL859079 cell-based format
CHEMBL220360 OBDepict N H N H H 3 C H O O CH 3 CH 3 N F F F Cl Ki = 0.3 nM 515.96 C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 Homo sapiens CHEMBL1059680 cell-based format
CHEMBL231636 OBDepict N H N H CH 3 H O O CH 3 H 3 C N F F F Cl IC50 = 0.3 nM 515.96 C[C@H](NC(=O)C(C)(C)Oc1cncc(C(F)(F)F)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 Homo sapiens CHEMBL887423 cell-based format
CHEMBL1095150 OBDepict Cl N O H N H Cl CH 3 H 3 C O Cl N H 3 C N H IC50 = 0.3 nM 541.87 Cc1n[nH]cc1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21 Homo sapiens CHEMBL1105736 cell-based format
CHEMBL1086494 OBDepict OH HN O O N Cl Cl IC50 = 0.3 nM 497.42 O=C(CO)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 Homo sapiens CHEMBL1120212 single protein format
CHEMBL220360 OBDepict N H N H H 3 C H O O CH 3 CH 3 N F F F Cl IC50 = 0.3 nM 515.96 C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 Homo sapiens CHEMBL911626 cell-based format
CHEMBL476325 OBDepict CH 3 S S OH O H H 3 C H 3 C H CH 3 Ki = 0.32 nM 432.7 CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCS1 Homo sapiens CHEMBL925155 single protein format
CHEMBL4086535 OBDepict Cl Cl N N H 3 C N H O N O F F F Ki = 0.32 nM 555.43 Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCCC(F)(F)F)cc1 Homo sapiens CHEMBL4022829 assay format
CHEMBL4105382 OBDepict F S O O O N CH 3 N N H O Cl N Cl Ki = 0.32 nM 569.49 Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCCF)cc1 Homo sapiens CHEMBL4022829 assay format
CHEMBL595462 OBDepict N N N H O N N O H 2 N Cl Cl IC50 = 0.34 nM 511.41 N#CN1CCC(CNC(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CC(N)=O)CC1 Homo sapiens CHEMBL1074628 cell-based format
CHEMBL252947 OBDepict CH 3 H H CH 3 CH 3 O OH CH 3 H 3 C Ki = 0.34 nM 354.53 CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCC3)cc1OC2(C)C Homo sapiens CHEMBL925155 single protein format
CHEMBL4078689 OBDepict F O N CH 3 N N H O Cl N Cl Ki = 0.34 nM 505.42 Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCCF)cc1 Homo sapiens CHEMBL4022829 assay format
CHEMBL336670 OBDepict N CH 3 H 3 C OH O H H 3 C CH 3 H CH 3 Ki = 0.36 nM 367.53 CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC#N)cc1OC2(C)C Homo sapiens CHEMBL658061 single protein format
CHEMBL1801348 OBDepict F N NH O N H O CH 3 H F N N Cl Ki = 0.37 nM 495.92 C[C@@H](NC(=O)C1(NC(=O)c2cncc(F)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F Homo sapiens CHEMBL1804296 cell-based format
CHEMBL1801341 OBDepict H N N NH O N H O CH 3 H F N N Cl Ki = 0.38 nM 466.9 C[C@@H](NC(=O)C1(NC(=O)c2cn[nH]c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F Homo sapiens CHEMBL1804296 cell-based format
CHEMBL4520650 OBDepict Cl N N N Cl N N HN S O O F Ki = 0.38 nM 597.5 O=S(=O)(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)c1ccccc1F Homo sapiens CHEMBL4387103 cell-based format
CHEMBL1090403 OBDepict Cl N O NH Cl N O O CH 3 H 3 C CH 3 CH 3 H 3 C IC50 = 0.39 nM 510.42 CN(C)C(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 Homo sapiens CHEMBL1115255 single protein format
CHEMBL1084820 OBDepict Cl N NH O Cl O OH H 3 C H IC50 = 0.4 nM 511.45 C[C@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 Homo sapiens CHEMBL1120212 single protein format
CHEMBL1091832 OBDepict OH HN O O O N CH 3 H 3 C Cl Cl IC50 = 0.4 nM 483.35 CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CO Homo sapiens CHEMBL1115255 single protein format
CHEMBL4244751 OBDepict Cl N N N Cl N N N O Ki = 0.4 nM 535.48 O=C(CC1CCCC1)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL4235196 cell-based format
CHEMBL2030738 OBDepict Cl N CH 3 N N O Cl Cl O H 2 N Ki = 0.4 nM 567.9 Cc1c(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL2033718 cell-based format
CHEMBL2063235 OBDepict CH 3 HN O N N O Cl Cl Ki = 0.41 nM 430.34 CCC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL199561 OBDepict Br CH 3 CH 3 OH O H H 3 C H 3 C H CH 3 Ki = 0.43 nM 421.42 CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCBr)cc1OC2(C)C Homo sapiens CHEMBL925155 single protein format
CHEMBL19847 OBDepict H 3 C OH O H H 3 C H 3 C H CH 3 Ki = 0.44 nM 368.56 CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1 Homo sapiens CHEMBL925155 single protein format
CHEMBL108868 OBDepict CH 3 OH O H H 3 C H 3 C H CH 3 Ki = 0.45 nM 396.62 CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCC1 Homo sapiens CHEMBL925155 single protein format
CHEMBL1668508 OBDepict HO H O O S O O F F F Ki = 0.46 nM 430.44 O=S(=O)(CCCC(F)(F)F)Oc1cccc(Oc2cccc3c2C[C@H](CO)C3)c1 Homo sapiens CHEMBL1838786 single protein format
CHEMBL226590 OBDepict F O H N H H 3 C H O O CH 3 CH 3 N CH 3 N IC50 = 0.47 nM 489.59 Cc1ccnc(OC(C)(C)C(=O)N[C@@H](C)[C@@H](Cc2ccc(OCCF)cc2)c2cccc(C#N)c2)c1 Homo sapiens CHEMBL889632 cell-based format
CHEMBL1801345 OBDepict CH 3 N HN O NH O CH 3 H F N N Cl Ki = 0.47 nM 491.95 Cc1cncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)c1 Homo sapiens CHEMBL1804296 cell-based format
CHEMBL1801344 OBDepict Br N NH O N H O CH 3 H F N N Cl Ki = 0.49 nM 556.82 C[C@@H](NC(=O)C1(NC(=O)c2ccc(Br)nc2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F Homo sapiens CHEMBL1804296 cell-based format
CHEMBL373626 OBDepict Cl H N H CH 3 H O O CH 3 H 3 C N F F F IC50 = 0.5 nM 490.95 C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 Homo sapiens CHEMBL911626 cell-based format
CHEMBL490859 OBDepict CH 3 O S F F F N O O N O H H F F F IC50 = 0.5 nM 536.49 COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)CC2)c1 Homo sapiens CHEMBL1011882 cell-based format
CHEMBL489438 OBDepict O N H H N S O O F F F F F F IC50 = 0.5 nM 546.53 O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(C3CC3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL1011882 cell-based format
CHEMBL1095476 OBDepict Cl N O H N H Cl CH 3 H 3 C O Cl N N H 3 C H CH 3 IC50 = 0.5 nM 555.89 Cc1[nH]nc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)c1C Homo sapiens CHEMBL1105736 cell-based format
CHEMBL2153670 OBDepict Cl N N H N N H S O O Cl H O NH 2 CH 3 CH 3 IC50 = 0.5 nM 572.52 CC(C)[C@H](N/C(=NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1)C(N)=O Homo sapiens CHEMBL2156596 single protein format
CHEMBL108085 OBDepict CH 3 O O OH O H H 3 C H 3 C H CH 3 Ki = 0.52 nM 400.56 CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)OCCO1 Homo sapiens CHEMBL925155 single protein format
CHEMBL1801347 OBDepict CH 3 O N NH O HN O H 3 C H F N N Cl Ki = 0.52 nM 507.95 COc1cncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)c1 Homo sapiens CHEMBL1804296 cell-based format
CHEMBL1801086 OBDepict O HN N H CH 3 H O S F N N N Cl Ki = 0.54 nM 483.96 C[C@@H](NC(=O)C1(NC(=O)c2cncs2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F Homo sapiens CHEMBL1804296 cell-based format
CHEMBL2063250 OBDepict Cl N O N N H Cl O S O O CH 3 Ki = 0.54 nM 494.4 CS(=O)(=O)CC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL595234 OBDepict NH 2 O N N N H O Cl N H 3 C Cl IC50 = 0.55 nM 480.36 Cc1ccncc1NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CC(N)=O Homo sapiens CHEMBL1074629 cell-based format
CHEMBL2063248 OBDepict Cl N O N N H Cl O O N Ki = 0.55 nM 469.33 O=C(NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)c1ccno1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL2063242 OBDepict H 3 C O NH O N N O Cl Cl Ki = 0.56 nM 460.36 CCOCC(=O)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL325389 OBDepict CH 3 H H H 3 C H 3 C O OH CH 3 H 3 C Ki = 0.57 nM 368.56 CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCCC3)cc1OC2(C)C Homo sapiens CHEMBL657904 cell-based format
CHEMBL4476621 OBDepict S HN N H N H O Cl Cl HO IC50 = 0.58 nM 356.23 O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1O Homo sapiens CHEMBL4383316 single protein format
CHEMBL1090402 OBDepict H 3 C NH O O N O CH 3 CH 3 H 3 C Cl Cl IC50 = 0.58 nM 481.38 CC(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 Homo sapiens CHEMBL1115255 single protein format
CHEMBL1209596 OBDepict Br H N H CH 3 H O O CH 3 H 3 C N F F F Cl IC50 = 0.59 nM 569.85 C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 Homo sapiens CHEMBL1211490 cell-based format
CHEMBL2063239 OBDepict Cl N O N N H Cl O Ki = 0.59 nM 484.43 O=C(NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)C1CCCCC1 Homo sapiens CHEMBL2065576 cell-based format
CHEMBL487091 OBDepict O N H H N S O O N N N F F F F F F IC50 = 0.6 nM 573.52 O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-n3nccn3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL1011882 cell-based format
CHEMBL1095554 OBDepict Cl N O H N H Cl H 3 C CH 3 O Cl N N H IC50 = 0.6 nM 577.9 CC1(C)C[C@@H](NC(=O)c2ccc3[nH]ncc3c2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 Homo sapiens CHEMBL1105736 cell-based format
CHEMBL1095159 OBDepict OH F F NH O H 3 C H 3 C O N Cl Cl Cl IC50 = 0.6 nM 541.81 CC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 Homo sapiens CHEMBL1105736 cell-based format
CHEMBL1095553 OBDepict Cl N O H HN Cl H 3 C CH 3 O Cl N N H IC50 = 0.6 nM 577.9 CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccccc23)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 Homo sapiens CHEMBL1105736 cell-based format
CHEMBL4580498 OBDepict O O N H N N N N N Cl Cl Ki = 0.6 nM 537.45 O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)OC1CCC1 Homo sapiens CHEMBL4387103 cell-based format
CHEMBL201602 OBDepict Cl N N N Cl CH 3 N O F F F Ki = 0.6 nM 453.25 Cc1nc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c(=O)n1CC(F)(F)F Homo sapiens CHEMBL859079 cell-based format
CHEMBL4068853 OBDepict Cl Cl N N CH 3 N H O N O S O O H 3 C CH 3 H 3 C Ki = 0.6 nM 593.58 Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(C)(C)C)cc1 Homo sapiens CHEMBL4022829 assay format
CHEMBL201565 OBDepict Cl N N N Cl N O F F Ki = 0.6 nM 421.23 O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CC(F)F Homo sapiens CHEMBL859079 cell-based format
CHEMBL138917 OBDepict N CH 3 CH 3 OH O H H 3 C H 3 C H CH 3 Ki = 0.6 nM 381.56 CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCCC#N)cc1OC2(C)C Homo sapiens CHEMBL658061 single protein format
CHEMBL4242477 OBDepict H 3 C S N O O N N N N N Cl Cl Ki = 0.6 nM 545.5 CCCCS(=O)(=O)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL4235196 cell-based format
CHEMBL1801351 OBDepict O NH N H H 3 C H O F N N N N Cl Ki = 0.65 nM 478.92 C[C@@H](NC(=O)C1(NC(=O)c2ccnnc2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F Homo sapiens CHEMBL1804296 cell-based format
CHEMBL1801085 OBDepict CH 3 O N O N H O NH O CH 3 H F N N Cl Ki = 0.67 nM 497.91 COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)on1 Homo sapiens CHEMBL1804296 cell-based format
CHEMBL226591 OBDepict F O H N H H 3 C H O O CH 3 CH 3 N CH 3 N IC50 = 0.7 nM 489.59 Cc1ccc(OC(C)(C)C(=O)N[C@@H](C)[C@@H](Cc2ccc(OCCF)cc2)c2cccc(C#N)c2)nc1 Homo sapiens CHEMBL889632 cell-based format
CHEMBL487090 OBDepict O N H H N S O O N N F F F F F F IC50 = 0.7 nM 572.53 O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-n3cccn3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL1011882 cell-based format
CHEMBL1097456 OBDepict O NH OH F F F CH 3 CH 3 O N Cl Cl Cl IC50 = 0.7 nM 573.83 CC1(C)CC(NC(=O)CC(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 Homo sapiens CHEMBL1105736 cell-based format
CHEMBL1085566 OBDepict Cl N NH O Cl O OH H 3 C H 3 C IC50 = 0.7 nM 525.48 CC(C)(O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 Homo sapiens CHEMBL1120212 single protein format
CHEMBL1097455 OBDepict Cl N NH O Cl O CH 3 CH 3 Cl HO H 3 C F F F IC50 = 0.7 nM 573.83 CC1(C)CC(NC(=O)C(C)(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 Homo sapiens CHEMBL1105736 cell-based format