HOME LIGAND hPROTEOME OTHERS DOCUMENT

P34972 | CNR2_HUMAN | Cannabinoid receptor 2 (CNR2)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL1822945 OBDepict H 3 C O O N H 3 C H O N H O N Ki = 0.01 nM 409.49 CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12 Homo sapiens CHEMBL1825304 single protein format
CHEMBL1822939 OBDepict CH 3 O CH 3 OH N H O O O CH 3 Ki = 0.014 nM 319.36 CCCCCc1cc2cc(C(=O)OC)c(=O)[nH]c2c(O)c1OC Homo sapiens CHEMBL1825304 single protein format
CHEMBL1822944 OBDepict CH 3 O O N H 3 C H O N H O N Ki = 0.02 nM 367.41 CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12 Homo sapiens CHEMBL1825304 single protein format
CHEMBL3410832 OBDepict H 3 C O O N H 3 C CH 3 O N H O F Ki = 0.021 nM 440.52 CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12 Homo sapiens CHEMBL3411783 single protein format
CHEMBL1822940 OBDepict H 3 C O O N H 3 C H O N H O F Ki = 0.021 nM 398.43 CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12 Homo sapiens CHEMBL1825304 single protein format
CHEMBL3410813 OBDepict CH 3 O O N H O N H O CH 3 F Ki = 0.026 nM 482.6 CCCCCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OCCCCC Homo sapiens CHEMBL3411783 single protein format
CHEMBL2112647 OBDepict HO H H H 3 C H 3 C O H 3 C H 3 C CH 3 Ki = 0.032 nM 370.58 CC(C)(C)CCCCCc1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21 Homo sapiens CHEMBL658878 single protein format
CHEMBL3233404 OBDepict CH 3 CH 3 CH 3 OH O H H 3 C H 3 C H O OH Ki = 0.032 nM 388.55 CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(OO)C[C@@H]21 Homo sapiens CHEMBL3239823 single protein format
CHEMBL1277685 OBDepict H 3 C H 3 C H 3 C O H CH 3 CH 3 H HO Ki = 0.032 nM 370.58 CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21 Homo sapiens CHEMBL1287590 single protein format
CHEMBL1822946 OBDepict H 3 C O O N H 3 C H O O OH Ki = 0.032 nM 291.3 CCCCOc1c(OC)ccc2cc(C(=O)O)c(=O)[nH]c12 Homo sapiens CHEMBL1825304 single protein format
CHEMBL1822941 OBDepict CH 3 O CH 3 OH N H N H O O F Ki = 0.036 nM 426.49 CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c(O)c1OC Homo sapiens CHEMBL1825304 single protein format
CHEMBL216276 OBDepict CH 3 N N N H O Cl N Cl Ki = 0.04 nM 441.36 Cc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2 Homo sapiens CHEMBL1670561 single protein format
CHEMBL1822942 OBDepict CH 3 O CH 3 OH N CH 3 N H O O F Ki = 0.043 nM 440.52 CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c2c(O)c1OC Homo sapiens CHEMBL1825304 single protein format
CHEMBL3410818 OBDepict CH 3 O O N CH 3 H O NH O O O Ki = 0.053 nM 396.4 CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12 Homo sapiens CHEMBL3411783 single protein format
CHEMBL1822943 OBDepict H 3 C O O N H 3 C CH 3 O N H O N O Ki = 0.085 nM 431.53 CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12 Homo sapiens CHEMBL1825304 single protein format
CHEMBL3410729 OBDepict CH 3 O O O CH 3 O HN O O O Ki = 0.087 nM 439.46 CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)oc12 Homo sapiens CHEMBL3411783 single protein format
CHEMBL3410826 OBDepict CH 3 HN O CH 3 N O HO Ki = 0.088 nM 368.48 CCCCCNc1c(OC)ccc2c1CN(CCc1ccc(O)cc1)C2=O Homo sapiens CHEMBL3411783 single protein format
CHEMBL2152813 OBDepict H 3 C N N H O O S H CH 3 H 3 C H 3 C Ki = 0.09 nM 502.72 CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 Homo sapiens CHEMBL2154766 cell-based format
CHEMBL569082 OBDepict O CH 3 CH 3 H 3 C H 3 C N F F F Ki = 0.09 nM 351.41 CC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C Homo sapiens CHEMBL1040875 cell-based format
CHEMBL3410817 OBDepict CH 3 O O N CH 3 H O N H O Ki = 0.09 nM 380.44 CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12 Homo sapiens CHEMBL3411783 single protein format
CHEMBL2152812 OBDepict H 3 C N NH O O S H H 3 C H 3 C CH 3 Ki = 0.1 nM 488.7 CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 Homo sapiens CHEMBL2154766 cell-based format
CHEMBL2387185 OBDepict H 3 C N O N H O CH 3 H 3 C Ki = 0.1 nM 394.56 CCCCn1c2c(cc(C(=O)NC(C)(C)c3ccccc3)c1=O)CCCCCC2 Homo sapiens CHEMBL2389082 cell-based format
CHEMBL3410827 OBDepict CH 3 O O N O CH 3 H 2 N Ki = 0.11 nM 424.59 CCCCCOc1ccc2c(c1OCCCCC)CN(CCc1ccc(N)cc1)C2=O Homo sapiens CHEMBL3411783 single protein format
CHEMBL3353441 OBDepict Br N N O N H O H F H CH 3 Ki = 0.12 nM 472.36 C[C@H]1CC[C@@H](NC(=O)c2cc3cc(Br)cnc3n(Cc3ccc(F)cc3)c2=O)CC1 Homo sapiens CHEMBL3383059 single protein format
CHEMBL411631 OBDepict CH 3 O N O O H 3 C H 3 C H 3 C CH 3 Ki = 0.12 nM 369.51 COc1cccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c12 Homo sapiens CHEMBL931641 cell-based format
CHEMBL569994 OBDepict O CH 3 CH 3 H 3 C H 3 C N O Ki = 0.14 nM 325.45 CC1(C)C(C(=O)c2cn(CC3CCOC3)c3ccccc23)C1(C)C Homo sapiens CHEMBL1040875 cell-based format
CHEMBL2338173 OBDepict O NH N N N O Ki = 0.15 nM 408.55 O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12 Homo sapiens CHEMBL2343727 single protein format
CHEMBL271839 OBDepict O N H 3 C CH 3 CH 3 CH 3 CH 3 O Ki = 0.15 nM 353.51 Cc1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1 Homo sapiens CHEMBL931641 cell-based format
CHEMBL559612 OBDepict CH 3 CH 3 H 3 C OH H H H OH OH Ki = 0.15 nM 376.58 CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 Homo sapiens CHEMBL658955 cell-based format
CHEMBL432107 OBDepict H 3 C CH 3 H 3 C OH O H 3 C CH 3 H OH Ki = 0.17 nM 386.58 CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)CC21 Homo sapiens CHEMBL658956 cell-based format
CHEMBL3353452 OBDepict CH 3 N H O O N N N S O Ki = 0.17 nM 480.63 CC1CCC(NC(=O)c2cc3cc(-c4cccs4)cnc3n(CCN3CCOCC3)c2=O)CC1 Homo sapiens CHEMBL3383059 single protein format
CHEMBL584742 OBDepict O O N N O CH 3 CH 3 H 3 C CH 3 Ki = 0.18 nM 354.45 CC1(C)C(C(=O)c2cn(CCN3CCOC3=O)c3ccccc23)C1(C)C Homo sapiens CHEMBL1040875 cell-based format
CHEMBL3353439 OBDepict CH 3 N H O O N N Br F Ki = 0.18 nM 472.36 CC1CCC(NC(=O)c2cc3cc(Br)cnc3n(Cc3ccc(F)cc3)c2=O)CC1 Homo sapiens CHEMBL3383059 single protein format
CHEMBL4649122 OBDepict H 3 C N O N N N H O OH CH 3 Ki = 0.18 nM 412.53 CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2nn(C)cc21 Homo sapiens CHEMBL4618689 cell-based format
CHEMBL3410831 OBDepict H 3 C O O N H 3 C H O N H O F Ki = 0.18 nM 426.49 CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3F)c(=O)[nH]c12 Homo sapiens CHEMBL3411783 single protein format
CHEMBL111148 OBDepict H 3 C CH 3 H 3 C OH O H 3 C CH 3 H CH 3 Ki = 0.199 nM 370.58 CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=CC21 Homo sapiens CHEMBL658956 cell-based format
CHEMBL1271092 OBDepict F S N O O S N O O HO N H S O O F F F Ki = 0.2 nM 599.61 O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCC(O)(CNS(=O)(=O)C(F)(F)F)CC1 Homo sapiens CHEMBL1274726 single protein format
CHEMBL1814468 OBDepict H 3 C N O NH O Ki = 0.2 nM 392.54 CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2ccccc21 Homo sapiens CHEMBL1817172 cell-based format
CHEMBL232116 OBDepict CH 3 S N S S N Ki = 0.2 nM 404.67 CSC(=S)N1CC2(CCCCC2)CS/C1=Nc1cccc2c1CCCC2 Homo sapiens CHEMBL895424 single protein format
CHEMBL4465566 OBDepict CH 3 O O H 3 C CH 3 HO O H CH 3 H 3 C H H HO Ki = 0.2 nM 390.52 CCCCOC(=O)C(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@@H]21 Homo sapiens CHEMBL4426859 cell-based format
CHEMBL2387183 OBDepict H 3 C N O N H O Ki = 0.2 nM 358.53 CCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCCCC2 Homo sapiens CHEMBL2389082 cell-based format
CHEMBL111724 OBDepict CH 3 CH 3 CH 3 OH O H 3 C H 3 C OH Ki = 0.2 nM 382.54 CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(CO)cc1-2 Homo sapiens CHEMBL658956 cell-based format
CHEMBL600602 OBDepict CH 3 CH 3 CH 3 OH O H H 3 C H 3 C H CH 3 Ki = 0.2 nM 370.58 CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 Homo sapiens CHEMBL1065037 single protein format
CHEMBL271158 OBDepict O H 3 C CH 3 H 3 C H 3 C N O Ki = 0.21 nM 339.48 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C Homo sapiens CHEMBL931641 cell-based format
CHEMBL252949 OBDepict CH 3 H H CH 3 CH 3 O OH H 3 C CH 3 Ki = 0.22 nM 382.59 CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCCCC3)cc1OC2(C)C Homo sapiens CHEMBL925156 single protein format
CHEMBL108085 OBDepict CH 3 O O OH O H H 3 C H 3 C H CH 3 Ki = 0.22 nM 400.56 CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)OCCO1 Homo sapiens CHEMBL925156 single protein format
CHEMBL3410819 OBDepict CH 3 O O N CH 3 CH 3 O HN O O O Ki = 0.22 nM 452.51 CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)n(C)c12 Homo sapiens CHEMBL3411783 single protein format
CHEMBL2022363 OBDepict F N O N H O Ki = 0.25 nM 392.47 O=C(NC1CCCCCC1)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O Homo sapiens CHEMBL2027757 cell-based format
CHEMBL2170545 OBDepict CH 3 N CH 3 HN O O Ki = 0.26 nM 356.51 CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C Homo sapiens CHEMBL2175894 cell-based format
CHEMBL3353450 OBDepict F N O N N H O H O H CH 3 Ki = 0.27 nM 459.52 C[C@H]1CC[C@@H](NC(=O)c2cc3cc(-c4ccco4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1 Homo sapiens CHEMBL3383059 single protein format
CHEMBL519575 OBDepict CH 3 H H CH 3 CH 3 O OH CH 3 H 3 C S Ki = 0.27 nM 368.54 CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccs3)cc1OC2(C)C Homo sapiens CHEMBL962380 single protein format
CHEMBL1076685 OBDepict H 3 C O O OH CH 3 S Cl Cl Ki = 0.27 nM 395.31 COc1cc(C(O)c2cccs2)cc(OC)c1-c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL3887286 assay format
CHEMBL2170532 OBDepict O HN N O CH 3 F F F Ki = 0.28 nM 396.45 Cc1cc(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1CCCC(F)(F)F Homo sapiens CHEMBL2175894 cell-based format
CHEMBL120669 OBDepict H 3 C Cl Cl OH O H H 3 C H 3 C H CH 3 Ki = 0.29 nM 437.45 CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1(Cl)Cl Homo sapiens CHEMBL925156 single protein format
CHEMBL3686329 OBDepict CH 3 N H H 3 C O N O F F F S N H 3 C H 3 C CH 3 H O Ki = 0.3 nM 485.57 CC(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1sc(C(C)(C)C)cn1C[C@H]1CCCO1 Homo sapiens CHEMBL3705645 cell-based format
CHEMBL2018655 OBDepict CH 3 O O NH H 3 C H 3 C O O N Ki = 0.3 nM 416.56 COC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 Homo sapiens CHEMBL2020402 single protein format
CHEMBL2152803 OBDepict CH 3 N HN O O F H H 3 C H 3 C CH 3 Ki = 0.3 nM 412.55 CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 Homo sapiens CHEMBL2154766 cell-based format
CHEMBL188 OBDepict O CH 3 N H O N O Ki = 0.3 nM 426.52 Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3 Homo sapiens CHEMBL658953 cell-based format
CHEMBL3650081 OBDepict CH 3 N N S N CH 3 CH 3 H 3 C O O N H F F F O O H 3 C H 3 C CH 3 Ki = 0.32 nM 516.59 CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1ONC(=O)OC(C)(C)C Homo sapiens CHEMBL3706217 cell-based format
CHEMBL2163935 OBDepict H 3 C N O N H O O Ki = 0.32 nM 354.45 CCCC1COc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn1c23 Homo sapiens CHEMBL2169620 cell-based format
CHEMBL3410815 OBDepict CH 3 O O N CH 3 H O N H O Ki = 0.33 nM 394.47 CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12 Homo sapiens CHEMBL3411783 single protein format
CHEMBL3353454 OBDepict CH 3 N H O O N N N O O Ki = 0.35 nM 464.57 CC1CCC(NC(=O)c2cc3cc(-c4ccco4)cnc3n(CCN3CCOCC3)c2=O)CC1 Homo sapiens CHEMBL3383059 single protein format
CHEMBL1271193 OBDepict F S N O O S N O O H 3 C N H S O O F F F Ki = 0.35 nM 597.63 CC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1 Homo sapiens CHEMBL1274726 single protein format
CHEMBL2087099 OBDepict H 3 C N O NH O O Ki = 0.37 nM 458.6 CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21 Homo sapiens CHEMBL2090509 cell-based format
CHEMBL1270885 OBDepict F S N O O S N O O NH S O O F F F Ki = 0.38 nM 583.61 O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1 Homo sapiens CHEMBL1274726 single protein format
CHEMBL252947 OBDepict CH 3 H H CH 3 CH 3 O OH CH 3 H 3 C Ki = 0.39 nM 354.53 CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCC3)cc1OC2(C)C Homo sapiens CHEMBL925156 single protein format
CHEMBL3421699 OBDepict CH 3 N O N N Ki = 0.39 nM 403.57 CCCCCn1cc2c(=O)n(CC34CC5CC(CC(C5)C3)C4)nc-2c2ccccc21 Homo sapiens CHEMBL3425366 single protein format
CHEMBL596387 OBDepict Cl S S O O F N O O CH 3 HN S O O F F F Ki = 0.39 nM 593.04 CC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1 Homo sapiens CHEMBL1071212 single protein format
CHEMBL3686304 OBDepict O O N H HN CH 3 CH 3 CH 3 N O F F F S N CH 3 CH 3 H 3 C H O Ki = 0.4 nM 542.62 CC(C)(C)OC(=O)NNc1ccc(C(F)(F)F)cc1C(=O)/N=c1/sc(C(C)(C)C)cn1C[C@H]1CCCO1 Homo sapiens CHEMBL3705645 cell-based format
CHEMBL569301 OBDepict CH 3 S N O CH 3 CH 3 CH 3 H 3 C Ki = 0.4 nM 343.54 CSCCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 Homo sapiens CHEMBL1040875 cell-based format
CHEMBL2152811 OBDepict H 3 C N N H O O S H H 3 C H 3 C CH 3 Ki = 0.4 nM 474.67 CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 Homo sapiens CHEMBL2154766 cell-based format
CHEMBL4239190 OBDepict N O N CH 3 OH O H H 3 C H 3 C H CH 3 Ki = 0.4 nM 368.48 CC1=CC[C@H]2[C@H](C1)c1c(O)cc(/C(C)=NOCCCC#N)cc1OC2(C)C Homo sapiens CHEMBL4236331 cell-based format
CHEMBL1270886 OBDepict CH 3 N H S O O F F F N S O O N S O O F Ki = 0.4 nM 597.63 CC(NS(=O)(=O)C(F)(F)F)C1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1 Homo sapiens CHEMBL1274726 single protein format
CHEMBL4756661 OBDepict CH 3 N O N O N O Ki = 0.4 nM 483.61 CCCCCn1cc(-c2nc(C34CC5CC(CC(C5)C3)C4)no2)c(=O)c2cc(-c3ccco3)ccc21 Homo sapiens CHEMBL4732938 cell-based format
CHEMBL1270987 OBDepict O S N O N S O O N H HN S O O F F F Ki = 0.4 nM 578.62 O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccn1)N1CCC2(CC1)C[C@@H]2NS(=O)(=O)C(F)(F)F Homo sapiens CHEMBL1274726 single protein format
CHEMBL381669 OBDepict F S O O O F F F HN CH 3 H S O O CH 3 Ki = 0.4 nM 531.55 C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1 Homo sapiens CHEMBL884738 single protein format
CHEMBL3650134 OBDepict H 3 C N N N H 3 C O CH 3 CH 3 H 3 C HN HN F F F O CH 3 CH 3 H 3 C Ki = 0.4 nM 495.59 CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)C(C)(C)C)cc(C(C)(C)C)n1C Homo sapiens CHEMBL3706217 cell-based format
CHEMBL180465 OBDepict CH 3 O S S O O O CH 3 O O N H H 3 C H S O O CH 3 Ki = 0.4 nM 539.65 COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)cc1 Homo sapiens CHEMBL884738 single protein format
CHEMBL3650130 OBDepict H 3 C N N S N H 3 C H 3 C CH 3 O HN NH F F F O H 3 C CH 3 H 3 C Ki = 0.4 nM 499.6 CCCCn1nc(C(C)(C)C)s/c1=NC(=O)c1cc(C(F)(F)F)ccc1NNC(=O)C(C)(C)C Homo sapiens CHEMBL3706217 cell-based format
CHEMBL401132 OBDepict O N Cl S N F F F CH 3 H 3 C H 3 C CH 3 IC50 = 0.41 nM 430.92 Cc1c(C(C)(C)C)s/c(=NC(=O)c2cccc(C(F)(F)F)c2Cl)n1CC1CC1 Homo sapiens CHEMBL925386 cell-based format
CHEMBL411244 OBDepict O H 3 C H 3 C CH 3 CH 3 N O Ki = 0.41 nM 415.58 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(-c4ccccc4)ccc23)C1(C)C Homo sapiens CHEMBL931641 cell-based format
CHEMBL3410811 OBDepict CH 3 O O N H O CH 3 OH Ki = 0.44 nM 413.56 CCCCCOc1ccc(C(=O)NCCc2ccc(O)cc2)cc1OCCCCC Homo sapiens CHEMBL3411783 single protein format
CHEMBL571330 OBDepict CH 3 N N O CH 3 CH 3 H 3 C CH 3 Ki = 0.48 nM 352.52 CN1CCCCC1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 Homo sapiens CHEMBL1040875 cell-based format
CHEMBL204387 OBDepict H 3 C O O N H 3 C OH N H O OH Ki = 0.48 nM 424.5 CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(O)nc12 Homo sapiens CHEMBL3411783 single protein format
CHEMBL411626 OBDepict CH 3 CH 3 CH 3 OH O H H 3 C H 3 C H CH 3 Ki = 0.49 nM 370.58 CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 Homo sapiens CHEMBL658961 single protein format
CHEMBL247830 OBDepict O N S N F F F CH 3 H 3 C H 3 C CH 3 IC50 = 0.5 nM 396.48 Cc1c(C(C)(C)C)s/c(=NC(=O)c2ccccc2C(F)(F)F)n1CC1CC1 Homo sapiens CHEMBL925386 cell-based format
CHEMBL3686293 OBDepict O N O S N F F F H O H 3 C H 3 C CH 3 H O Ki = 0.5 nM 512.59 CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCO2)s1 Homo sapiens CHEMBL3705645 cell-based format
CHEMBL2326297 OBDepict CH 3 O S N O O H 3 C N H 3 C H 3 C Ki = 0.5 nM 438.59 CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 Homo sapiens CHEMBL2329721 single protein format
CHEMBL1269867 OBDepict F S N O O S N O O H CH 3 H N H S O O F F F Ki = 0.5 nM 597.63 C[C@@H]1CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@H]1CNS(=O)(=O)C(F)(F)F Homo sapiens CHEMBL1274726 single protein format
CHEMBL371575 OBDepict H 3 C S S O O F O O HN CH 3 H S O O CH 3 Ki = 0.5 nM 511.62 Cc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)c(S(=O)(=O)c2ccccc2F)c1 Homo sapiens CHEMBL884738 single protein format
CHEMBL3686332 OBDepict O N O S N N F F F H 3 C H 3 C CH 3 O Ki = 0.5 nM 509.59 CC(C)(C)c1cn(CC2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ON=C2CCCC2)s1 Homo sapiens CHEMBL3705645 cell-based format
CHEMBL1909860 OBDepict H 3 C N N N N H O Cl Cl Ki = 0.51 nM 431.37 CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 Homo sapiens CHEMBL1912501 cell-based format
CHEMBL269851 OBDepict CH 3 O N O CH 3 CH 3 CH 3 H 3 C O Ki = 0.51 nM 369.51 COc1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1 Homo sapiens CHEMBL931641 cell-based format
CHEMBL476325 OBDepict CH 3 S S OH O H H 3 C H 3 C H CH 3 Ki = 0.52 nM 432.7 CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)SCCS1 Homo sapiens CHEMBL925156 single protein format
CHEMBL338484 OBDepict CH 3 OH O H H 3 C CH 3 H OH Ki = 0.52 nM 386.58 CCCCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21 Homo sapiens CHEMBL658878 single protein format
CHEMBL487464 OBDepict CH 3 H H H 3 C H 3 C O OH CH 3 H 3 C Br Ki = 0.54 nM 441.41 CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(Br)c3)cc1OC2(C)C Homo sapiens CHEMBL962380 single protein format
CHEMBL1950329 OBDepict CH 3 O N N N N S H 3 C O O S Ki = 0.56 nM 524.71 CCOc1ccc(Cc2nc3cc(N(C)S(=O)(=O)c4cccs4)ccc3n2CC2CCCCC2)nc1 Homo sapiens CHEMBL1952637 single protein format
CHEMBL3353437 OBDepict F N O N N H O CH 3 Ki = 0.56 nM 373.47 CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCF)c2=O)CC1 Homo sapiens CHEMBL3383059 single protein format
CHEMBL3099056 OBDepict CH 3 O N N N H N Cl OH CH 3 H 3 C F IC50 = 0.58 nM 416.88 COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(C(C)(C)O)c2)n1 Homo sapiens CHEMBL3101346 single protein format
CHEMBL57802 OBDepict H 3 C H 3 C H 3 C OH O H CH 3 CH 3 H CH 2 Ki = 0.58 nM 370.58 C=C1CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCCC)cc1OC2(C)C Homo sapiens CHEMBL658961 single protein format