HOME LIGAND hPROTEOME OTHERS DOCUMENT

P0DMS8 | AA3R_HUMAN | Adenosine receptor A3 (ADORA3)

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
CHEMBL118923 OBDepict O NH N H N N N N N N N H 3 C O ClH Ki = 0.01 nM 411.81 Cl.Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL649056 cell-based format
CHEMBL3754229 OBDepict CH 3 O HN O N N N N S Ki = 0.027 nM 427.49 COc1ccc(C(=O)Nc2nc(-c3cccs3)nc3cn(-c4ccccc4)nc23)cc1 Homo sapiens CHEMBL3756027 cell-based format
CHEMBL89852 OBDepict CH 3 O OH CH 3 N O O Ki = 0.0314 nM 477.56 CCO/C(O)=C1C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1 Homo sapiens CHEMBL641516 cell-based format
CHEMBL332091 OBDepict O NH N H N N N N N N N H 3 C O Ki = 0.04 nM 375.35 Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL649056 cell-based format
CHEMBL331111 OBDepict H 3 C N N N N N H N O CH 3 IC50 < 0.1 nM 322.37 CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OC)cc3)nn12 Homo sapiens CHEMBL644555 cell-based format
CHEMBL1091268 OBDepict O NH N N N N N N H 3 C Ki = 0.108 nM 383.42 Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccccc4)nc23)n1 Homo sapiens CHEMBL1117076 cell-based format
CHEMBL340868 OBDepict H 3 C O O NH O O CH 3 H 3 C Ki = 0.11 nM 467.57 CCOC(=O)C1=C(c2ccccc2)Nc2cc(C)c(C(=O)OCC)cc2C1/C=C/c1ccccc1 Homo sapiens CHEMBL641522 cell-based format
CHEMBL145767 OBDepict CH 3 O N H HN O N N N N N N H O Ki = 0.14 nM 390.36 COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(-c4ccco4)nn23)cc1 Homo sapiens CHEMBL641976 cell-based format
CHEMBL144979 OBDepict CH 3 O N H N H O N N N N O Cl Ki = 0.14 nM 434.84 COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1 Homo sapiens CHEMBL649057 cell-based format
CHEMBL209992 OBDepict CH 3 N N N N N HN N H O N H O H 3 C Ki = 0.14 nM 404.43 CCn1cc2c(n1)N=C(NC(=O)Nc1ccc(C)cc1)N1NC(c3ccco3)=NC21 Homo sapiens CHEMBL867484 cell-based format
CHEMBL348975 OBDepict CH 3 N N N N N N N H O N H O H 3 C Ki = 0.14 nM 402.42 CCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL649059 cell-based format
CHEMBL168018 OBDepict CH 3 N N N N N NH N N H O O Ki = 0.15 nM 402.42 CCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL649058 cell-based format
CHEMBL324735 OBDepict O NH N H N N N N N N H 3 C O Ki = 0.16 nM 374.36 Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL641961 cell-based format
CHEMBL1834703 OBDepict O HN NH N N N N N N H 3 C O Ki = 0.16 nM 450.46 Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccc(-c5ccco5)cc4)nc23)n1 Homo sapiens CHEMBL1837541 cell-based format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 0.17 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121467 single protein format
CHEMBL352796 OBDepict CH 3 N N N N N N N H O N H O Ki = 0.18 nM 388.39 CCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL644809 cell-based format
CHEMBL331111 OBDepict H 3 C N N N N N H N O CH 3 Ki = 0.18 nM 322.37 CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OC)cc3)nn12 Homo sapiens CHEMBL641518 cell-based format
CHEMBL1098108 OBDepict CH 3 O N H O N N N N CH 3 Ki = 0.18 nM 359.39 COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1 Homo sapiens CHEMBL1120797 cell-based format
CHEMBL141550 OBDepict O N H NH N N N N Cl O Cl Ki = 0.19 nM 439.26 O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 Homo sapiens CHEMBL641958 cell-based format
CHEMBL258535 OBDepict CH 3 HN N N N N H O HO H H OH H H OH OH Ki = 0.2 nM 425.45 CCNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Homo sapiens CHEMBL644949 cell-based format
CHEMBL2181965 OBDepict H 3 C N N O N N H N Br Ki = 0.2 nM 374.24 CCCN1C(=O)N2CCN=C2c2[nH]c(-c3ccc(Br)cc3)nc21 Homo sapiens CHEMBL2187068 cell-based format
CHEMBL352073 OBDepict CH 3 N N N N N N N H O N H O Cl Ki = 0.2 nM 422.84 CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646443 cell-based format
CHEMBL1834704 OBDepict CH 3 O N H HN O N N N N N N CH 3 O Ki = 0.2 nM 480.49 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccc(-c5ccco5)cc4)nn23)cc1 Homo sapiens CHEMBL1837541 cell-based format
CHEMBL329791 OBDepict CH 3 O N H HN O N N N N N N CH 3 O Ki = 0.2 nM 404.39 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 Homo sapiens CHEMBL646445 cell-based format
CHEMBL1091640 OBDepict O HN N N N N N N CH 3 F Ki = 0.201 nM 401.41 Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(F)cc4)nc23)n1 Homo sapiens CHEMBL1117076 cell-based format
CHEMBL166684 OBDepict CH 3 N N N N N N H N N H O O H 3 C Ki = 0.21 nM 430.47 CCCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646444 cell-based format
CHEMBL349240 OBDepict H 3 C N N N N N N N H O N H O Ki = 0.21 nM 416.45 CCCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL649060 cell-based format
CHEMBL122819 OBDepict H 3 C N N N N N H N O CH 3 IC50 = 0.21 nM 336.4 CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCC)cc3)nn12 Homo sapiens CHEMBL644556 cell-based format
CHEMBL123172 OBDepict H 3 C N N N N N H N O CH 3 IC50 = 0.22 nM 322.37 CCCCc1nc2[nH]cnc2c2nc(-c3cccc(OC)c3)nn12 Homo sapiens CHEMBL644556 cell-based format
CHEMBL123465 OBDepict H 3 C N N N N N H N IC50 = 0.23 nM 278.32 CCCc1nc2[nH]cnc2c2nc(-c3ccccc3)nn12 Homo sapiens CHEMBL644556 cell-based format
CHEMBL165224 OBDepict O HN N H N N N N N O N O CH 3 O Ki = 0.24 nM 418.37 Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646446 cell-based format
CHEMBL1091938 OBDepict CH 3 O N N N NH N N N O H 3 C Ki = 0.241 nM 413.44 COc1ccc(-c2nc3c4cn(C)nc4nc(NC(=O)Cc4ccccc4)n3n2)cc1 Homo sapiens CHEMBL1117076 cell-based format
CHEMBL1091641 OBDepict O HN N N N N N N CH 3 Cl Ki = 0.248 nM 417.86 Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1 Homo sapiens CHEMBL1117076 cell-based format
CHEMBL578224 OBDepict O N H N N N N N N CH 3 O Ki = 0.25 nM 449.47 Cn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL1037718 cell-based format
CHEMBL522152 OBDepict H 3 C NH O H S H OH H N H HO N N N N H I Ki = 0.25 nM 526.36 CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL1028959 cell-based format
CHEMBL122512 OBDepict H 3 C N N N N N H N IC50 = 0.25 nM 292.35 CCCCc1nc2[nH]cnc2c2nc(-c3ccccc3)nn12 Homo sapiens CHEMBL644555 cell-based format
CHEMBL333415 OBDepict CH 3 N N N N N H N F IC50 = 0.25 nM 310.34 CCCCc1nc2[nH]cnc2c2nc(-c3ccc(F)cc3)nn12 Homo sapiens CHEMBL644556 cell-based format
CHEMBL165083 OBDepict CH 3 N N N N N N N H O N H O O O Ki = 0.27 nM 432.4 CCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646448 cell-based format
CHEMBL122685 OBDepict CH 3 N N N N N H N H 3 C IC50 = 0.27 nM 306.37 CCCCc1nc2[nH]cnc2c2nc(-c3cccc(C)c3)nn12 Homo sapiens CHEMBL644556 cell-based format
CHEMBL201706 OBDepict CH 3 HN O H S H HO H N H OH N N Cl N N H CH 3 Ki = 0.28 nM 358.81 CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL641517 cell-based format
CHEMBL4788488 OBDepict CH 3 HN O H H HO H N H HO N N N NH H 3 C S F Ki = 0.28 nM 442.48 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4731030 cell-based format
CHEMBL165778 OBDepict H 3 C N N N N N N N H O N H O F Ki = 0.29 nM 420.41 CCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646447 cell-based format
CHEMBL175543 OBDepict H 3 C N H O H H HO H N H OH N N Cl N N H Cl Ki = 0.29 nM 463.33 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL829680 cell-based format
CHEMBL567226 OBDepict H 3 C N H O H H HO H N H OH N N Cl N N H Cl Ki = 0.29 nM 463.33 CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL1052922 cell-based format
CHEMBL167753 OBDepict O NH N H N N N N N N Cl H 3 C O Ki = 0.29 nM 408.81 Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646450 cell-based format
CHEMBL124788 OBDepict H 3 C N N N N N H N Cl IC50 = 0.29 nM 326.79 CCCCc1nc2[nH]cnc2c2nc(-c3ccccc3Cl)nn12 Homo sapiens CHEMBL644556 cell-based format
CHEMBL333860 OBDepict H 3 C N N N N N H N O CH 3 IC50 = 0.3 nM 350.43 CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCCC)cc3)nn12 Homo sapiens CHEMBL644556 cell-based format
CHEMBL2180931 OBDepict CH 3 N N N N N N N H O H 3 C H Ki = 0.3 nM 359.39 C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1 Homo sapiens CHEMBL2188178 cell-based format
CHEMBL352345 OBDepict CH 3 N N N N N N H N N H O O Cl Ki = 0.3 nM 422.84 CCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646451 cell-based format
CHEMBL166301 OBDepict H 3 C N N N N N N N H O N H O O O Ki = 0.3 nM 446.43 CCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646449 cell-based format
CHEMBL122511 OBDepict CH 3 N N N N N H N IC50 = 0.3 nM 306.37 CCCCCc1nc2[nH]cnc2c2nc(-c3ccccc3)nn12 Homo sapiens CHEMBL644556 cell-based format
CHEMBL4740116 OBDepict H 3 C O O N H N N N N N N H 3 C O Ki = 0.306 nM 417.43 CCOC(=O)C(Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1 Homo sapiens CHEMBL4673787 cell membrane format
CHEMBL351285 OBDepict O HN HN N N N N N N CH 3 CH 3 O Ki = 0.31 nM 388.39 Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 Homo sapiens CHEMBL646454 cell-based format
CHEMBL4105164 OBDepict CH 3 N N N N H O H HO H N H HO N N Cl N NH Ki = 0.313 nM 421.85 CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 Homo sapiens CHEMBL4052149 cell-based format
CHEMBL330286 OBDepict H 3 C N N N N N N N H O N H O O CH 3 Ki = 0.32 nM 446.47 CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646455 cell-based format
CHEMBL332742 OBDepict CH 3 N N N N N H N H 3 C IC50 = 0.33 nM 306.37 CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C)cc3)nn12 Homo sapiens CHEMBL644556 cell-based format
CHEMBL605266 OBDepict CH 3 N H O H O H OH N H HO N N Cl N HN I Ki = 0.33 nM 558.76 CNC(=O)C[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H](O)[C@H]1O Homo sapiens CHEMBL642102 cell-based format
CHEMBL431733 OBDepict H 3 C NH O H O H OH H N H HO N N Cl N N H I Ki = 0.33 nM 544.74 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL646639 cell-based format
CHEMBL573032 OBDepict CH 3 N H O H O H HO H N H HO N N N NH H 3 C O CH 3 Ki = 0.33 nM 438.44 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL1056090 cell-based format
CHEMBL572765 OBDepict O NH N H N N N N N N F H 3 C O Ki = 0.34 nM 392.35 Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646457 cell-based format
CHEMBL165560 OBDepict H 3 C N N N N N N H N N H O O O H 3 C Ki = 0.34 nM 432.44 CCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646456 cell-based format
CHEMBL164905 OBDepict H 3 C N N N N N N N H O N H O Cl Ki = 0.34 nM 436.86 CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646452 cell-based format
CHEMBL4059961 OBDepict CH 3 N N N N H O H OH H N H HO N N Cl N HN Br Ki = 0.345 nM 536.78 CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 Homo sapiens CHEMBL4052149 cell-based format
CHEMBL1091937 OBDepict O HN N N N N N N CH 3 Br Ki = 0.345 nM 462.31 Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(Br)cc4)nc23)n1 Homo sapiens CHEMBL1117076 cell-based format
CHEMBL383714 OBDepict O NH N H N N N N N N N H 3 C O Ki = 0.35 nM 375.35 Cn1cc2c(nc(NC(=O)Nc3ccccn3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL862546 cell-based format
CHEMBL2181976 OBDepict H 3 C H 3 C N S N H O N N Ki = 0.36 nM 386.48 Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 Homo sapiens CHEMBL2187068 cell-based format
CHEMBL98464 OBDepict O N H H 3 C H N N N N O Cl Ki = 0.362 nM 417.86 C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1 Homo sapiens CHEMBL641516 cell-based format
CHEMBL165600 OBDepict CH 3 N N N N N N N H O N H O Br Ki = 0.37 nM 467.29 CCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646458 cell-based format
CHEMBL4082584 OBDepict OH N N O N O N H Ki = 0.37 nM 320.31 O=c1[nH]c(-c2ccccc2)cn2c(=O)n(-c3ccc(O)cc3)nc12 Homo sapiens CHEMBL4012873 cell-based format
CHEMBL2368455 OBDepict H 3 C N H O H H HO H N H OH N N Cl N N H Br Ki = 0.38 nM 507.78 CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Br)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL829680 cell-based format
CHEMBL4062581 OBDepict CH 3 O N O N N N O O CH 3 Ki = 0.38 nM 406.44 COc1cccc(Cn2c(=O)n(CC3CC3)c(=O)c3c2nc2cc(OC)ccn23)c1 Homo sapiens CHEMBL4018966 assay format
CHEMBL200732 OBDepict H 3 C NH O H S H OH H N H HO N N Cl N N H I Ki = 0.38 nM 560.81 CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL641517 cell-based format
CHEMBL4071338 OBDepict CH 3 N N N N H O H OH H N H HO N N N HN Cl Ki = 0.386 nM 457.88 CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)ncnc43)[C@H](O)[C@@H]2O)n1 Homo sapiens CHEMBL4052149 cell-based format
CHEMBL4098377 OBDepict CH 3 N N N N H O H OH H N H HO N N Cl N HN Cl Ki = 0.387 nM 492.33 CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 Homo sapiens CHEMBL4052149 cell-based format
CHEMBL4081876 OBDepict CH 3 N N N N H O H OH H N H HO N N N HN Br Ki = 0.393 nM 502.33 CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)ncnc43)[C@H](O)[C@@H]2O)n1 Homo sapiens CHEMBL4052149 cell-based format
CHEMBL351075 OBDepict H 3 C N N N N N N N H O N H O H 3 C Ki = 0.4 nM 416.45 CCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646459 cell-based format
CHEMBL350261 OBDepict H 3 C N N N N N N N H O N H O O H 3 C Ki = 0.4 nM 432.44 CCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646460 cell-based format
CHEMBL203357 OBDepict H 3 C NH O H S H OH H N H HO N N Cl N H 2 N Ki = 0.4 nM 344.78 CNC(=O)[C@H]1S[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL641517 cell-based format
CHEMBL589080 OBDepict CH 3 O O H 3 C O N CH 3 S NH O CH 3 N Ki = 0.4 nM 385.45 COc1cc(-c2nc(NC(C)=O)sc2-c2ccncc2)cc(OC)c1OC Homo sapiens CHEMBL1064296 single protein format
CHEMBL344501 OBDepict O NH N H N N N N N Cl N H 3 C O Ki = 0.4 nM 408.81 Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646453 cell-based format
CHEMBL575027 OBDepict CH 3 N H O H O H HO H N H HO N N N NH H 3 C N Ki = 0.4 nM 409.41 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL1056090 cell-based format
CHEMBL121339 OBDepict CH 3 N N N N N H N Cl IC50 = 0.41 nM 326.79 CCCCc1nc2[nH]cnc2c2nc(-c3ccc(Cl)cc3)nn12 Homo sapiens CHEMBL875928 cell-based format
CHEMBL330982 OBDepict H N N N N N N IC50 = 0.41 nM 312.34 c1ccc(-c2nc3c4[nH]cnc4nc(-c4ccccc4)n3n2)cc1 Homo sapiens CHEMBL644556 cell-based format
CHEMBL3753642 OBDepict O NH N N N N N S Ki = 0.41 nM 398.45 O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccnc1 Homo sapiens CHEMBL3756027 cell-based format
CHEMBL596042 OBDepict CH 3 N H O H S H OH H N H HO N N N N H I Ki = 0.42 nM 540.39 CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL1070693 cell-based format
CHEMBL2094083 OBDepict H 3 C HN O H O H HO H N H HO N N N NH 2 HO Ki = 0.42 nM 438.44 CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL644949 cell-based format
CHEMBL3414939 OBDepict CH 3 N N N N H O H OH H N H HO N N Cl N HN CH 3 Ki = 0.429 nM 381.78 CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 Homo sapiens CHEMBL3420490 cell-based format
CHEMBL573269 OBDepict CH 3 N H O H O H HO H N H HO N N N NH H 3 C F Ki = 0.43 nM 426.41 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL1056090 cell-based format
CHEMBL354161 OBDepict O NH N H N N N N N N + N H 3 C O O _ O Ki = 0.43 nM 419.36 Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL641957 cell-based format
CHEMBL424161 OBDepict CH 3 N N N N N N H N N H O O Cl Ki = 0.43 nM 450.89 CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646461 cell-based format
CHEMBL574602 OBDepict CH 3 N H O H O H HO H N H HO N N N NH H 3 C Ki = 0.44 nM 408.42 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL1056090 cell-based format
CHEMBL3407785 OBDepict CH 3 HN O H H HO H N H HO N N N NH H 3 C S Br Ki = 0.44 nM 503.38 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Br)s4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3413616 cell-based format
CHEMBL203797 OBDepict O NH N H N N N N N N N H 3 C O Ki = 0.44 nM 375.35 Cn1cc2c(nc(NC(=O)Nc3cccnc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL862546 cell-based format
CHEMBL1562432 OBDepict CH 3 H N N N O N H N CH 3 Cl Cl Cl Ki = 0.441 nM 398.68 CC[C@@H]1CN2C(=O)N(C)c3nc(-c4cc(Cl)cc(Cl)c4Cl)[nH]c3C2=N1 Homo sapiens CHEMBL2417037 cell-based format
CHEMBL330873 OBDepict CH 3 N N N N N H N IC50 = 0.45 nM 264.29 CCc1nc2[nH]cnc2c2nc(-c3ccccc3)nn12 Homo sapiens CHEMBL644556 cell-based format
CHEMBL350205 OBDepict H 3 C N N N N N N N H O N H O Br Ki = 0.45 nM 481.31 CCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL646462 cell-based format
CHEMBL348925 OBDepict O NH N H N N N N N N Br H 3 C O Ki = 0.46 nM 453.26 Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL647235 cell-based format
CHEMBL411692 OBDepict O N H H 3 C H N N N N O Cl Ki = 0.468 nM 417.86 C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1 Homo sapiens CHEMBL641516 cell-based format
CHEMBL3414938 OBDepict CH 3 N N N N H O H OH H N H HO N N N HN CH 3 Ki = 0.478 nM 347.34 CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)ncnc43)[C@H](O)[C@@H]2O)n1 Homo sapiens CHEMBL3420490 cell-based format
CHEMBL304726 OBDepict H 2 C N N N N N N HN O N H O O CH 3 Ki = 0.48 nM 430.43 C=CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 Homo sapiens CHEMBL641320 cell-based format