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P54289 | CA2D1_HUMAN | Voltage-dependent calcium channel subunit alpha-2/delta-1 (CACNA2D1)

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
CHEMBL1801207 OBDepict H 3 C O N N CH 3 N N CH 3 N IC50 = 1.0 nM 323.4 CCOc1ccc(-n2nc3c(N4CCC4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801206 OBDepict CH 3 O N N CH 3 N N CH 3 N IC50 = 2.0 nM 337.43 CCOc1ccc(-n2nc3c(N4CCCC4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801177 OBDepict H 3 C O N N H 3 C N N H 3 C N H NH 2 IC50 = 2.0 nM 352.44 CCOc1ccc(-n2nc3c(N4CC[C@H](N)C4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801186 OBDepict H 3 C O N N H 3 C N N H 3 C N H F IC50 = 3.0 nM 355.42 CCOc1ccc(-n2nc3c(N4CC[C@@H](F)C4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801185 OBDepict Cl O N N F F F CH 3 N N CH 3 N IC50 = 3.0 nM 411.82 Cc1nnc(N2CCCC2)c2nn(-c3ccc(Cl)cc3OC(F)(F)F)c(C)c12 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801178 OBDepict H 3 C O N N H 3 C N N H 3 C N H OH IC50 = 5.0 nM 353.43 CCOc1ccc(-n2nc3c(N4CC[C@@H](O)C4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801180 OBDepict CH 3 O N N H 3 C N N H 3 C N O CH 3 IC50 = 5.0 nM 353.43 CCOc1ccc(-n2nc3c(N4CC(OC)C4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL4847725 OBDepict CH 3 N H N N CH 3 O N H H CH 3 N Ki = 6.0 nM 329.45 CCC[C@H](c1nc2ccncc2c(=O)n1CC)N1CCN[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL1801179 OBDepict CH 3 O N N CH 3 N N CH 3 N H O H 3 C IC50 = 6.0 nM 367.45 CCOc1ccc(-n2nc3c(N4CC[C@@H](OC)C4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801205 OBDepict CH 3 O N N CH 3 N N CH 3 N H 3 C CH 3 IC50 = 7.0 nM 311.39 CCOc1ccc(-n2nc3c(N(C)C)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801191 OBDepict H 3 C O N N N N N CH 3 CH 3 O Cl F F F IC50 = 8.0 nM 427.81 COC1CN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4OC(F)(F)F)nc23)C1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL4847873 OBDepict H 3 C N H N N H 3 C O H CH 3 N H H CH 3 Br Ki = 8.0 nM 421.38 CCC[C@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL1801192 OBDepict CH 3 O F N N H 3 C N N H 3 C N O CH 3 IC50 = 8.0 nM 371.42 CCOc1ccc(-n2nc3c(N4CC(OC)C4)nnc(C)c3c2C)c(F)c1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL418138 OBDepict H 3 C NH H N N H 3 C H 3 C IC50 = 9.0 nM 363.55 CCC[C@@H](CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12 Homo sapiens CHEMBL641407 cell membrane format
CHEMBL4744000 OBDepict CH 3 N H N N N O N H N N O H 3 C Ki = 11.0 nM 405.46 CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc(-c3noc(C)n3)c1)C2=O Homo sapiens CHEMBL4714156 cell membrane format
CHEMBL84228 OBDepict CH 3 NH N O N N N N F F F IC50 = 15.0 nM 492.51 Cc1cccc(CCNCc2cccc(COc3nn4c(C(F)(F)F)nnc4c4ccccc34)n2)c1 Homo sapiens CHEMBL815531 single protein format
CHEMBL4851929 OBDepict CH 3 N N N H 3 C O H CH 3 NH H CH 3 Br Ki = 15.0 nM 421.38 CCCC(c1nc2cc(Br)ccc2c(=O)n1CC)N1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL4859215 OBDepict H 3 C N N N CH 3 O H H 3 C HN H H 3 C Br Ki = 16.0 nM 421.38 CCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL4847073 OBDepict H 3 C N H N N H 3 C O N H H CH 3 Br Ki = 16.0 nM 407.36 CCC[C@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1CCN[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL57657 OBDepict CH 3 NH N N H 3 C H 3 C IC50 = 18.0 nM 363.55 CCCC(CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12 Homo sapiens CHEMBL641407 cell membrane format
CHEMBL202120 OBDepict CH 3 O N H 3 C CH 3 HN N CH 3 N F IC50 = 18.0 nM 404.49 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(F)c4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL4868703 OBDepict CH 3 N N N CH 3 O H CH 3 N H H H 3 C N Ki = 18.0 nM 419.57 CCCC(c1nc2cc(-c3ccncc3)ccc2c(=O)n1CC)N1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL1059 OBDepict NH 2 H O OH CH 3 CH 3 Ki = 19.0 nM 159.23 CC(C)C[C@H](CN)CC(=O)O Homo sapiens CHEMBL4714156 cell membrane format
CHEMBL1801182 OBDepict H 3 C N N N H 3 C N N O F F F IC50 = 20.0 nM 391.4 Cc1nnc(N2CCCC2)c2nn(-c3ccc(OCC(F)(F)F)cc3)c(C)c12 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801208 OBDepict CH 3 O N N CH 3 NH N CH 3 N H 3 C IC50 = 22.0 nM 297.36 CCOc1ccc(-n2nc3c(NC)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801210 OBDepict H 3 C O N N H 3 C N N H 3 C N IC50 = 22.0 nM 365.48 CCOc1ccc(-n2nc3c(N4CCCCCC4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801184 OBDepict Cl Cl N N CH 3 N N CH 3 N IC50 = 25.0 nM 362.26 Cc1nnc(N2CCCC2)c2nn(-c3ccc(Cl)cc3Cl)c(C)c12 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801187 OBDepict H 3 C O N N H 3 C N N H 3 C N F F IC50 = 25.0 nM 373.41 CCOc1ccc(-n2nc3c(N4CCC(F)(F)C4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL940 OBDepict NH 2 O OH IC50 = 27.0 nM 171.24 NCC1(CC(=O)O)CCCCC1 Homo sapiens CHEMBL641407 cell membrane format
CHEMBL4858331 OBDepict CH 3 N H N N CH 3 O N H H CH 3 N Ki = 27.0 nM 329.45 CCC[C@H](c1nc2ccncc2c(=O)n1CC)N1CCN[C@@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL310121 OBDepict Br NH CH 3 H N O N N N N F F F IC50 = 28.0 nM 571.4 C[C@H](NCCc1cccc(Br)c1)c1cccc(COc2nn3c(C(F)(F)F)nnc3c3ccccc23)n1 Homo sapiens CHEMBL815531 single protein format
CHEMBL430820 OBDepict H 3 C HN CH 3 N O N N N N F F F IC50 = 29.0 nM 506.53 Cc1cccc(CCNC(C)c2cccc(COc3nn4c(C(F)(F)F)nnc4c4ccccc34)n2)c1 Homo sapiens CHEMBL815531 single protein format
CHEMBL1169381 OBDepict T NH H 3 C H N O N N N N F F F IC50 = 30.0 nM 494.51 [3H]c1cccc(CCN[C@@H](C)c2cccc(COc3nn4c(C(F)(F)F)nnc4c4ccccc34)n2)c1 Homo sapiens CHEMBL815531 single protein format
CHEMBL446627 OBDepict H NH CH 3 N O N N N N F F F IC50 = 30.0 nM 492.51 C[C@H](NCCc1ccccc1)c1cccc(COc2nn3c(C(F)(F)F)nnc3c3ccccc23)n1 Homo sapiens CHEMBL815531 single protein format
CHEMBL202297 OBDepict H 3 C O N CH 3 CH 3 N NH CH 3 N N H IC50 = 30.0 nM 411.51 CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ccc5c4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL1801176 OBDepict CH 3 O N N CH 3 N N CH 3 N HO IC50 = 32.0 nM 367.45 CCOc1ccc(-n2nc3c(N4CCC(O)CC4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL202570 OBDepict CH 3 O N H 3 C CH 3 HN N CH 3 N N NH IC50 = 32.0 nM 442.57 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc5c(n4)NCCC5)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL1801188 OBDepict H 3 C N N N H 3 C N N H F O F F F IC50 = 32.0 nM 409.39 Cc1nnc(N2CC[C@@H](F)C2)c2nn(-c3ccc(OCC(F)(F)F)cc3)c(C)c12 Homo sapiens CHEMBL1805878 single protein format
CHEMBL1801183 OBDepict CH 3 O H 3 C N N H 3 C N N H 3 C N IC50 = 32.0 nM 351.45 Cc1nnc(N2CCCC2)c2nn(-c3ccc(OC(C)C)cc3)c(C)c12 Homo sapiens CHEMBL1805878 single protein format
CHEMBL79184 OBDepict CH 3 N H N O N N N N F F F IC50 = 36.0 nM 492.51 CC(NCCc1ccccc1)c1cccc(COc2nn3c(C(F)(F)F)nnc3c3ccccc23)n1 Homo sapiens CHEMBL815531 single protein format
CHEMBL202354 OBDepict H 3 C O N CH 3 CH 3 N NH CH 3 N N N H IC50 = 36.0 nM 412.5 CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ncc5c4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL4854799 OBDepict CH 3 N N N H 3 C O H CH 3 NH H CH 3 Ki = 36.0 nM 342.49 CCCC(c1nc2ccccc2c(=O)n1CC)N1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL201824 OBDepict CH 3 O N H 3 C CH 3 HN N CH 3 N Cl IC50 = 37.0 nM 420.94 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(Cl)c4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL4854923 OBDepict CH 3 N N N H 3 C O H CH 3 NH H CH 3 N Ki = 38.0 nM 419.57 CCCC(c1nc2ccc(-c3ccncc3)cc2c(=O)n1CC)N1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL57487 OBDepict H 3 C NH N N H 3 C H 3 C IC50 = 38.0 nM 349.52 CCC(CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12 Homo sapiens CHEMBL641407 cell membrane format
CHEMBL287371 OBDepict CH 3 O N H 3 C H 3 C CH 3 N NH N H 3 C IC50 = 40.0 nM 310.4 CCOc1ccc(-n2c(C)c3c(C)nnc(NC)c3c2C)cc1 Homo sapiens CHEMBL646567 cell-based format
CHEMBL1801209 OBDepict CH 3 O N N CH 3 N N CH 3 N IC50 = 42.0 nM 351.45 CCOc1ccc(-n2nc3c(N4CCCCC4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL56743 OBDepict CH 3 N CH 3 HN CH 3 H N IC50 = 43.0 nM 343.56 CCN(CC)CCC[C@H](C)Nc1c2c(nc3c1CCCC3)CCCC2 Homo sapiens CHEMBL641407 cell membrane format
CHEMBL4862112 OBDepict CH 3 N N N H 3 C O H CH 3 NH H CH 3 HN H 3 C Ki = 44.0 nM 385.56 CCCC(c1nc2ccc(NCC)cc2c(=O)n1CC)N1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL425397 OBDepict CH 3 O N CH 3 H 3 C CH 3 N HN N O IC50 = 50.0 nM 380.49 CCOc1ccc(-n2c(C)c3c(C)nnc(NCC4CCCO4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL299461 OBDepict CH 3 N CH 3 N H N IC50 = 52.0 nM 361.53 CCN(CC)CCCC(Nc1c2ccccc2nc2ccccc12)C1CC1 Homo sapiens CHEMBL641407 cell membrane format
CHEMBL382960 OBDepict CH 3 O N H 3 C CH 3 N N H CH 3 N IC50 = 54.0 nM 412.54 CCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCc5ccccc54)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL1801213 OBDepict H 3 C O N N H 3 C N N H 3 C N NH IC50 = 58.0 nM 366.47 CCOc1ccc(-n2nc3c(N4CCCNCC4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL201818 OBDepict CH 3 NH N N CH 3 N CH 3 CH 3 O CH 3 IC50 = 61.0 nM 352.48 CCCCNc1nnc(C)c2c(C)n(-c3ccc(OCC)cc3)c(C)c12 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL383428 OBDepict CH 3 O N H 3 C CH 3 N HN CH 3 N N IC50 = 63.0 nM 437.55 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5cccnc45)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL382053 OBDepict CH 3 O N H 3 C CH 3 N H N CH 3 N N H N N H 3 C IC50 = 64.0 nM 343.44 CCOn1c(C)c2c(C)nnc(NNCc3cnn(CC)c3)c2c1C Homo sapiens CHEMBL854074 cell membrane format
CHEMBL202603 OBDepict CH 3 O N H 3 C CH 3 HN N CH 3 N Cl IC50 = 65.0 nM 420.94 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(Cl)cc4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL4856257 OBDepict CH 3 N N N H 3 C O H CH 3 NH H CH 3 Br Ki = 66.0 nM 421.38 CCCC(c1nc2cccc(Br)c2c(=O)n1CC)N1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL202058 OBDepict H 3 C O N CH 3 CH 3 CH 3 N N NH H 3 C CH 3 IC50 = 67.0 nM 338.46 CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)C)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL381840 OBDepict CH 3 O N H 3 C CH 3 N H N CH 3 N N N H IC50 = 68.0 nM 416.53 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4n[nH]cc4C4CC4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL201848 OBDepict CH 3 O N H 3 C CH 3 HN N CH 3 N N N H 3 C IC50 = 69.0 nM 390.49 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(C)c4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL201992 OBDepict H 3 C O N CH 3 H 3 C N NH H 3 C N N H IC50 = 70.0 nM 425.54 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5[nH]ccc45)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL84067 OBDepict F F F N N N N O N N H IC50 = 72.0 nM 478.48 FC(F)(F)c1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12 Homo sapiens CHEMBL641406 single protein format
CHEMBL4853335 OBDepict CH 3 N N N CH 3 O H CH 3 NH H CH 3 Ki = 73.0 nM 328.46 CCCC(c1nc2ccccc2c(=O)n1C)N1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL26552 OBDepict H 3 C O N CH 3 CH 3 CH 3 N N NH IC50 = 75.0 nM 372.47 CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccccc4)c3c2C)cc1 Homo sapiens CHEMBL646567 cell-based format
CHEMBL4854635 OBDepict CH 3 N N N H 3 C O NH Br Ki = 76.0 nM 393.33 CCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1CCNCC1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL202224 OBDepict CH 3 O N H 3 C CH 3 HN N CH 3 N O CH 3 IC50 = 76.0 nM 416.53 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccccc4OC)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL1801181 OBDepict CH 3 N N N CH 3 N N O F F F IC50 = 79.0 nM 377.37 Cc1nnc(N2CCCC2)c2nn(-c3ccc(OC(F)(F)F)cc3)c(C)c12 Homo sapiens CHEMBL1805878 single protein format
CHEMBL4761964 OBDepict CH 3 N H N N N CH 3 O N N O N H 3 C Ki = 81.0 nM 379.42 CCNc1ncc2c(n1)N(C)CCN(c1cccc(-c3nnc(C)o3)c1)C2=O Homo sapiens CHEMBL4714156 cell membrane format
CHEMBL380574 OBDepict CH 3 O N H 3 C CH 3 HN N CH 3 N N CH 3 IC50 = 84.0 nM 401.51 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(C)n4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL383430 OBDepict CH 3 O N H 3 C CH 3 HN N CH 3 N N IC50 = 84.0 nM 387.49 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccncc4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL202489 OBDepict H 3 C O N CH 3 CH 3 CH 3 N HN N H 3 C CH 3 IC50 = 84.0 nM 366.51 CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)CC)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL383133 OBDepict CH 3 O N CH 3 H 3 C N N H 3 C N H H IC50 = 84.0 nM 452.6 CCOc1ccc(-n2c(C)c3c(C)nnc(N4C[C@@H]5CCc6ccccc6[C@@H]5C4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL26288 OBDepict H 3 C O N H 3 C CH 3 H 3 C N N CH 3 IC50 = 86.0 nM 371.48 CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)cc1 Homo sapiens CHEMBL646567 cell-based format
CHEMBL4864739 OBDepict H 3 C N H N N H 3 C O N H H CH 3 Br Ki = 91.0 nM 407.36 CCC[C@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1CCN[C@@H](C)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL202170 OBDepict CH 3 O N H 3 C CH 3 HN N CH 3 N F IC50 = 94.0 nM 404.49 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(F)cc4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL22649 OBDepict H 3 C O N CH 3 H 3 C N H 3 C N CH 3 IC50 = 107.0 nM 385.51 CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(CC)cc4)c3c2C)cc1 Homo sapiens CHEMBL646567 cell-based format
CHEMBL56397 OBDepict CH 3 N CH 3 HN CH 3 H N IC50 = 110.0 nM 335.5 CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2ccccc12 Homo sapiens CHEMBL641407 cell membrane format
CHEMBL4792765 OBDepict H 3 C NH O H S N O N CH 3 N Ki = 112.0 nM 422.55 CNCC[C@H](Oc1cccc(N2CCN(C)c3ncccc3C2=O)c1)c1cccs1 Homo sapiens CHEMBL4714156 cell membrane format
CHEMBL311873 OBDepict CH 3 O HN N O N N N N F F F IC50 = 116.0 nM 508.5 COc1cccc(CCNCc2cccc(COc3nn4c(C(F)(F)F)nnc4c4ccccc34)n2)c1 Homo sapiens CHEMBL641406 single protein format
CHEMBL202283 OBDepict CH 3 O N H 3 C CH 3 HN N CH 3 N N IC50 = 119.0 nM 387.49 CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccnc4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL4848391 OBDepict H 3 C N H N N H 3 C O N H H H 3 C Br Ki = 123.0 nM 421.38 CCC[C@H](c1nc2ccc(Br)cc2c(=O)n1CC)N1CCN[C@@H](CC)C1 Homo sapiens CHEMBL4825605 cell membrane format
CHEMBL1801189 OBDepict H 3 C O N N N N N CH 3 CH 3 O F F F IC50 = 126.0 nM 407.4 COC1CN(c2nnc(C)c3c(C)n(-c4ccc(OCC(F)(F)F)cc4)nc23)C1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL81850 OBDepict H 3 C O N N N N O N N H IC50 = 131.0 nM 454.53 COCc1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12 Homo sapiens CHEMBL641406 single protein format
CHEMBL201801 OBDepict H 3 C O N CH 3 CH 3 CH 3 N N N HN IC50 = 135.0 nM 453.59 CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC5=C(C4)NC4C=CC=CC54)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL370873 OBDepict CH 3 O N H 3 C CH 3 N N CH 3 N NH O H 3 C IC50 = 144.0 nM 407.52 CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC(NC(C)=O)C4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL81225 OBDepict H 3 C N N N N O N N H IC50 = 145.0 nM 424.51 Cc1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12 Homo sapiens CHEMBL641406 single protein format
CHEMBL79968 OBDepict N N N N O N N H IC50 = 145.0 nM 492.63 c1ccc(CCNCc2cccc(COc3nn4c(C5CCCCC5)nnc4c4ccccc34)n2)cc1 Homo sapiens CHEMBL641406 single protein format
CHEMBL24440 OBDepict CH 3 O N CH 3 H 3 C CH 3 N N IC50 = 148.0 nM 377.53 CCOc1ccc(-n2c(C)c3c(C)nnc(CCC4CCCC4)c3c2C)cc1 Homo sapiens CHEMBL646567 cell-based format
CHEMBL4744472 OBDepict CH 3 HN O H S N O N H 3 C N CH 3 Ki = 151.0 nM 436.58 CNCC[C@H](Oc1cccc(N2CCN(C)c3nc(C)ccc3C2=O)c1)c1cccs1 Homo sapiens CHEMBL4714156 cell membrane format
CHEMBL383739 OBDepict CH 3 O N H 3 C CH 3 N N CH 3 N IC50 = 153.0 nM 502.66 CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC(c5ccccc5)(c5ccccc5)C4)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL26344 OBDepict H 3 C O N H 3 C CH 3 H 3 C N N O H 3 C IC50 = 153.0 nM 401.51 CCOc1ccc(-c2nnc(C)c3c(C)n(-c4ccc(OCC)cc4)c(C)c23)cc1 Homo sapiens CHEMBL646567 cell-based format
CHEMBL24399 OBDepict H 3 C O N CH 3 H 3 C N H 3 C N O CH 3 IC50 = 154.0 nM 387.48 CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(OC)cc4)c3c2C)cc1 Homo sapiens CHEMBL646567 cell-based format
CHEMBL58047 OBDepict CH 3 N CH 3 HN CH 3 N IC50 = 160.0 nM 343.56 CCN(CC)CCCC(C)Nc1c2c(nc3c1CCCC3)CCCC2 Homo sapiens CHEMBL641407 cell membrane format
CHEMBL79762 OBDepict F NH N O N N N N F F F IC50 = 161.0 nM 496.47 Fc1cccc(CCNCc2cccc(COc3nn4c(C(F)(F)F)nnc4c4ccccc34)n2)c1 Homo sapiens CHEMBL815531 single protein format
CHEMBL202184 OBDepict H 3 C O N H 3 C H 3 C N HN CH 3 N IC50 = 161.0 nM 426.56 CCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCCc5ccccc54)c3c2C)cc1 Homo sapiens CHEMBL854074 cell membrane format
CHEMBL1801212 OBDepict CH 3 O N N CH 3 N N CH 3 N N H 3 C IC50 = 169.0 nM 366.47 CCOc1ccc(-n2nc3c(N4CCN(C)CC4)nnc(C)c3c2C)cc1 Homo sapiens CHEMBL1805878 single protein format
CHEMBL25612 OBDepict CH 3 O N CH 3 H 3 C CH 3 N N IC50 = 170.0 nM 321.42 CCOc1ccc(-n2c(C)c3c(C)nnc(C4CC4)c3c2C)cc1 Homo sapiens CHEMBL646567 cell-based format
CHEMBL24747 OBDepict CH 3 O N H 3 C H 3 C CH 3 N N N H 3 C CH 3 IC50 = 170.0 nM 324.43 CCOc1ccc(-n2c(C)c3c(C)nnc(N(C)C)c3c2C)cc1 Homo sapiens CHEMBL646567 cell-based format
CHEMBL26225 OBDepict H 3 C O N CH 3 CH 3 CH 3 N N H 3 C CH 3 IC50 = 171.0 nM 337.47 CCOc1ccc(-n2c(C)c3c(C)nnc(CC(C)C)c3c2C)cc1 Homo sapiens CHEMBL646567 cell-based format