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P48735 | IDHP_HUMAN | "Isocitrate dehydrogenase [NADP], mitochondrial" (IDH2)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4278420 OBDepict Cl N N N N NH N H H 3 C H H 3 C H IC50 = 4.0 nM 358.88 C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(Cl)n2)n1)C1CC1 Homo sapiens CHEMBL4338886 cell-based format
CHEMBL4463644 OBDepict Cl N N N H H 3 C H N N N N H O O H F H 3 C H IC50 = 6.0 nM 469.91 C[C@H](Nc1nc(N2C(=O)OC[C@@H]2[C@H](C)F)c2cc[nH]c2n1)c1cn(-c2ccc(Cl)cc2)cn1 Homo sapiens CHEMBL4309388 single protein format
CHEMBL4280132 OBDepict Cl N N N NH N N H F F F F IC50 = 6.0 nM 430.84 FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(Cl)n3)n2)C1 Homo sapiens CHEMBL4338886 cell-based format
CHEMBL4439421 OBDepict H 3 C CH 3 H N O O N N NH N H CH 3 H N H 3 C N F F F IC50 = 6.0 nM 525.54 Cc1cc([C@@H](C)Nc2nc(N3C(=O)OC[C@@H]3C(C)C)c3cc[nH]c3n2)ncc1-c1ccnc(C(F)(F)F)c1 Homo sapiens CHEMBL4309388 single protein format
CHEMBL4753099 OBDepict F F F N N N N H N HN F F F IC50 = 6.1 nM 482.43 FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCCC2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4278845 OBDepict Cl N N N N NH N H CH 3 H CH 3 H F F F F F F IC50 = 7.0 nM 414.74 C[C@H](Nc1nc(N[C@@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F Homo sapiens CHEMBL4338886 cell-based format
CHEMBL4283785 OBDepict Cl N N N N NH HN CH 3 CH 3 F F F F F F IC50 = 8.0 nM 414.74 CC(Nc1nc(NC(C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F Homo sapiens CHEMBL4338886 cell-based format
CHEMBL4277352 OBDepict F F N H N N N H N N F F F F F IC50 = 9.0 nM 464.39 FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4338886 cell-based format
CHEMBL4800354 OBDepict Cl NH N N O N H N N F F F IC50 = 12.2 nM 464.88 FC(F)(F)c1cccc(-c2nc3nc(n2)Nc2cc(Cl)cc(c2)CCCCOCCN3)n1 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4292293 OBDepict F F F N N N HN N NH IC50 = 13.0 nM 364.38 FC(F)(F)c1cccc(-c2nc(NCC3CC3)nc(NCC3CC3)n2)n1 Homo sapiens CHEMBL4338883 cell-based format
CHEMBL4796025 OBDepict F F F N N N N H N HN F F F IC50 = 13.8 nM 480.42 FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCC/C=C/C2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4282989 OBDepict H 3 C N H N N NH N N H 3 C Cl IC50 = 14.0 nM 386.93 CCC(Nc1nc(NC(CC)C2CC2)nc(-c2cccc(Cl)n2)n1)C1CC1 Homo sapiens CHEMBL4338886 cell-based format
CHEMBL4280772 OBDepict F F N H N N NH N N F F F F F IC50 = 16.0 nM 436.34 FC1(F)CC(Nc2nc(NC3CC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4338883 cell-based format
CHEMBL4786020 OBDepict F F F N N N N H N NH O F F F IC50 = 17.4 nM 496.42 FC(F)(F)c1cc2cc(c1)OC/C=CCCCNc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)N2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4753744 OBDepict F F F N N N N H N HN O F F F IC50 = 18.4 nM 482.39 FC(F)(F)c1cc2cc(c1)OC/C=CCCNc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)N2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4783076 OBDepict F NH N N O N H N N F F F IC50 = 18.6 nM 448.42 Fc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOCCCC2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4448857 OBDepict CH 3 NH H 3 C N N HN N N N F F F F F F IC50 = 19.0 nM 443.36 CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 Homo sapiens CHEMBL4338883 cell-based format
CHEMBL4782070 OBDepict F F F N N N N H N NH F F F IC50 = 19.9 nM 496.46 FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCCCC2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4289692 OBDepict Cl N N N NH N N H F F F F IC50 = 22.0 nM 458.89 FC1(F)CCC(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3cccc(Cl)n3)n2)CC1 Homo sapiens CHEMBL4338886 cell-based format
CHEMBL4278828 OBDepict H N H H 3 C N N N NH N H 3 C H F F F IC50 = 22.0 nM 392.43 C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1 Homo sapiens CHEMBL4338883 cell-based format
CHEMBL4746278 OBDepict CH 3 NH N N O N H N N F F F IC50 = 22.2 nM 444.46 Cc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOCCCC2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4756154 OBDepict CH 3 OH H 3 C HN N N NH N N F F F F F F IC50 = 26.0 nM 472.39 CC(C)(O)CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4750012 OBDepict F NH N N O N H N N F F F IC50 = 29.5 nM 446.41 Fc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOC/C=CC2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4456102 OBDepict CH 3 O H 3 C CH 3 HN N N NH N N N F F F F F F IC50 = 31.69 nM 473.38 CC(C)(C)ONc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 Homo sapiens CHEMBL4309374 single protein format
CHEMBL4754521 OBDepict CH 2 O H 3 C CH 3 HN N N NH N N F F F F F F IC50 = 32.8 nM 512.46 C=CCOC(C)(C)CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4790341 OBDepict Cl NH N N O N H N N F F F IC50 = 36.0 nM 462.86 FC(F)(F)c1cccc(-c2nc3nc(n2)Nc2cc(Cl)cc(c2)C/C=CCOCCN3)n1 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4739900 OBDepict F F F NH N N N H N N F F F IC50 = 37.2 nM 510.49 FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCCCCC2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4781074 OBDepict F F F NH N N N H N N F F F IC50 = 37.6 nM 508.47 FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCCC/C=C/C2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4751821 OBDepict F F F N N N N H N NH F F F IC50 = 37.6 nM 494.44 FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCCC/C=C/C2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4779519 OBDepict CH 3 NH N N O N H N N F F F IC50 = 37.9 nM 442.45 Cc1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOC/C=CC2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4787510 OBDepict CH 3 CH 3 O NH N N HN N N F F F F F F IC50 = 38.5 nM 526.49 CC1(C)CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)CCCCO1 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4793173 OBDepict F F F N N N N H N NH O F F F IC50 = 39.9 nM 496.42 FC(F)(F)c1cc2cc(c1)Nc1nc(nc(-c3cccc(C(F)(F)F)n3)n1)NCCOC/C=CC2 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4762400 OBDepict CH 3 O NH N N HN N N F F F F F F IC50 = 45.6 nM 512.46 CC1CNc2nc(nc(-c3cccc(C(F)(F)F)n3)n2)Nc2cc(cc(C(F)(F)F)c2)CCCCO1 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4761041 OBDepict H 2 C O CH 3 H 3 C NH N N HN N N F F F IC50 = 46.0 nM 444.46 C=CCOC(C)(C)CNc1nc(Nc2ccccc2)nc(-c2cccc(C(F)(F)F)n2)n1 Homo sapiens CHEMBL4708483 single protein format
CHEMBL4284907 OBDepict CH 3 N H H 3 C CH 3 N N N NH N H 3 C CH 3 H 3 C F F F IC50 = 46.0 nM 368.41 CC(C)(C)Nc1nc(NC(C)(C)C)nc(-c2cccc(C(F)(F)F)n2)n1 Homo sapiens CHEMBL4338883 cell-based format
CHEMBL4285379 OBDepict F F N H N N N H N N N F F F IC50 < 50.0 nM 513.47 FC1(F)CCC(Nc2nc(Nc3ccnc(-c4ccccc4)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4281644 OBDepict N N N H N N N NH N N CH 3 F F F F F F IC50 < 50.0 nM 483.38 CC(Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-n2ccc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4279427 OBDepict Cl N N N N N H N H N F F F IC50 < 50.0 nM 421.81 FC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(-c3cccc(Cl)n3)n2)ccn1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4286181 OBDepict N N N H N N N NH N H N F F F F F IC50 < 50.0 nM 503.44 N#CC1(c2cc(Nc3nc(N[C@H]4CCC(F)(F)C4)nc(-c4ccnc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4294595 OBDepict N N N H N N N NH N H N F F F F F IC50 < 50.0 nM 503.44 N#CC1(c2cc(Nc3nc(N[C@@H]4CCC(F)(F)C4)nc(-c4ccnc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4280455 OBDepict F F N H N N N H N S N N F F F F F F IC50 < 50.0 nM 511.4 FC1(F)CCC(Nc2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3nc(C(F)(F)F)cs3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4278576 OBDepict CH 3 HN H F F F N N N NH N H F F F CH 3 F F F IC50 < 50.0 nM 476.35 CC[C@H](Nc1nc(N[C@@H](CC)C(F)(F)F)nc(-c2cccc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4287374 OBDepict N N N H N N N H N N F F F F CH 3 IC50 < 50.0 nM 498.49 CC(F)(F)c1cccc(-c2nc(Nc3ccnc(C4(C#N)CC4)c3)nc(NC3CCC(F)(F)C3)n2)n1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4285701 OBDepict N N N H N N HN N N N F F F F F IC50 < 50.0 nM 529.48 N#CC1(c2cc(Nc3nc(NC4CC5(C4)CC(F)(F)C5)nc(-c4cncc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4283555 OBDepict F F F N N N N N HN NH H 3 C H H 3 C H F F F F F F IC50 < 50.0 nM 449.28 C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cncc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4284574 OBDepict F F F N N H N N N H N N N F F F IC50 < 50.0 nM 456.35 FC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(-c3cncc(C(F)(F)F)n3)n2)ccn1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4293197 OBDepict F F NH N N N H N S N N F F F F F F IC50 < 50.0 nM 497.38 FC1(F)CC(Nc2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3nc(C(F)(F)F)cs3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4280467 OBDepict F F N H N N NH N N N N F F F F F F IC50 < 50.0 nM 520.39 FC1(F)CCC(Nc2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cncc(C(F)(F)F)n3)n2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4290944 OBDepict F F NH N N N H N N N N F F F F F F IC50 < 50.0 nM 492.33 FC1(F)CC(Nc2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cncc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4294642 OBDepict F F H N H N N HN N N N N F F F F F F IC50 < 50.0 nM 506.36 FC1(F)CC[C@H](Nc2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cncc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4279960 OBDepict N N NH N N N HN N N H 3 C H F F F F F F IC50 < 50.0 nM 483.38 C[C@@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-n2ccc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4278901 OBDepict F F H N H N N NH N N N N F F F F F F IC50 < 50.0 nM 494.35 FC1(F)CC[C@H](Nc2nc(Nc3ccnc(C(F)(F)F)c3)nc(-n3ccc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4294407 OBDepict N N N H N N HN N N N F F F F F IC50 < 50.0 nM 517.47 N#CC1(c2cc(Nc3nc(NC4CCC(F)(F)CC4)nc(-c4cncc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4293370 OBDepict F F N H N N N H N N F F F F F IC50 < 50.0 nM 478.42 FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4289299 OBDepict F N H F F F N N NH N N OH H 3 C H 3 C F F H 3 C IC50 < 50.0 nM 486.42 CC(C)(O)CNc1nc(Nc2cc(F)cc(C(F)(F)F)c2)nc(-c2cccc(C(C)(F)F)n2)n1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4288968 OBDepict N N H F N N NH N N OH H 3 C H 3 C F F H 3 C IC50 < 50.0 nM 443.43 CC(C)(O)CNc1nc(Nc2cc(F)cc(C#N)c2)nc(-c2cccc(C(C)(F)F)n2)n1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4287914 OBDepict F F H N H N N N NH N H N F F F F F IC50 < 50.0 nM 465.38 FC1(F)CC[C@H](Nc2nc(N[C@@H]3CCC(F)(F)C3)nc(-c3cncc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4282949 OBDepict F F F N N H N N N HN N N CH 3 H F F F F F F IC50 < 50.0 nM 486.3 C[C@@H](Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-n2ccc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4281916 OBDepict N N N H N N HN N N N F F F F F IC50 < 50.0 nM 489.41 N#CC1(c2cc(Nc3nc(NC4CC(F)(F)C4)nc(-c4cncc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4550500 OBDepict H 3 C O HN N N HN N N N F F F F F F IC50 < 50.0 nM 445.33 CCONc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 Homo sapiens CHEMBL4309374 single protein format
CHEMBL4532902 OBDepict H 3 C OH CH 3 O NH N N HN N N N F F F F F F IC50 < 50.0 nM 489.38 CC(C)(O)CONc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 Homo sapiens CHEMBL4309374 single protein format
CHEMBL4448671 OBDepict F F F N HN N N HN N O N F F F IC50 < 50.0 nM 471.37 FC(F)(F)c1cc(Nc2nc(NOCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1 Homo sapiens CHEMBL4309374 single protein format
CHEMBL4291028 OBDepict Cl N N N HN NH H 3 C H F F F F F IC50 < 50.0 nM 435.83 C[C@@H](Nc1cc(NC2CCC(F)(F)CC2)nc(-c2cccc(Cl)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257015 cell-based format
CHEMBL4282906 OBDepict H N H H 3 C N N NH N H 3 C H F F F IC50 < 50.0 nM 391.44 C[C@@H](Nc1cc(N[C@H](C)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1 Homo sapiens CHEMBL4257015 cell-based format
CHEMBL4280571 OBDepict F F H N H N N N NH N H N F F F F F IC50 < 50.0 nM 465.38 FC1(F)CC[C@@H](Nc2nc(N[C@@H]3CCC(F)(F)C3)nc(-c3cncc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4291004 OBDepict N N HN N N N NH N CH 3 H F F F F F F IC50 < 50.0 nM 530.44 C[C@@H](Nc1nc(Nc2ccnc(-c3ccc(C#N)cc3)c2)nc(-c2cccc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4277241 OBDepict F F N N N N N H N N H F F F F IC50 < 50.0 nM 419.33 FC(F)c1cncc(-c2nc(NC3CC(F)(F)C3)nc(NC3CC(F)(F)C3)n2)n1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4291710 OBDepict F F F N N H N N N H N N N F F F IC50 < 50.0 nM 444.34 FC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(-n3ccc(C(F)(F)F)n3)n2)ccn1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4286538 OBDepict F F H N H N N N NH N H N F F F F F IC50 < 50.0 nM 465.38 FC1(F)CC[C@H](Nc2nc(N[C@H]3CCC(F)(F)C3)nc(-c3cncc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4282741 OBDepict F F N H N N N H N N N F F F F F F IC50 < 50.0 nM 505.37 FC1(F)CCC(Nc2nc(Nc3cncc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4281715 OBDepict H 3 C NH F F F N N N HN S N H 3 C F F F F F F IC50 < 50.0 nM 454.32 CC(Nc1nc(NC(C)C(F)(F)F)nc(-c2nc(C(F)(F)F)cs2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4278630 OBDepict F F N S N N NH N N H F F F F IC50 < 50.0 nM 424.37 FC(F)c1csc(-c2nc(NC3CC(F)(F)C3)nc(NC3CC(F)(F)C3)n2)n1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4282389 OBDepict F F N S N N N H N HN F F F F IC50 < 50.0 nM 452.43 FC(F)c1csc(-c2nc(NC3CCC(F)(F)C3)nc(NC3CCC(F)(F)C3)n2)n1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4292069 OBDepict F F N N N N N H N NH F F F F IC50 < 50.0 nM 447.39 FC(F)c1cncc(-c2nc(NC3CCC(F)(F)C3)nc(NC3CCC(F)(F)C3)n2)n1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4286039 OBDepict N N N H N N NH N N N F F F F F IC50 < 50.0 nM 505.46 N#CC1(c2cc(Nc3nc(NC4CCC(F)(F)CC4)nc(-n4ccc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4292273 OBDepict N N N H N N N N H N N H F F F F F IC50 < 50.0 nM 451.36 N#Cc1cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(-n3ccc(C(F)(F)F)n3)n2)ccn1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4293283 OBDepict F F N H N N NH N N N N F F F F F F IC50 < 50.0 nM 532.4 FC1(F)CC2(CC(Nc3nc(Nc4ccnc(C(F)(F)F)c4)nc(-c4cncc(C(F)(F)F)n4)n3)C2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4284001 OBDepict F F H HN N N N H N N N F F F F F CH 3 IC50 < 50.0 nM 501.41 CC(F)(F)c1cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4281400 OBDepict F F F N N N N NH NH H 3 C H F F F N IC50 < 50.0 nM 505.43 C[C@@H](Nc1nc(Nc2ccnc(-c3ccccc3)c2)nc(-c2cccc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4282432 OBDepict F F NH N N N H N N N F F F F F H 3 C IC50 < 50.0 nM 487.38 CC(F)(F)c1cc(Nc2nc(NC3CC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4283829 OBDepict F F HN N N N H N S N F F CH 3 F F IC50 < 50.0 nM 494.51 CC(F)(F)c1csc(-c2nc(NC3CCC(F)(F)CC3)nc(NC3CCC(F)(F)CC3)n2)n1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4294324 OBDepict F F F N N H N N N HN N N CH 3 H F F F F F F IC50 < 50.0 nM 486.3 C[C@H](Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-n2ccc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4294406 OBDepict F F H HN N N N H N N N F F F F F CH 3 IC50 < 50.0 nM 501.41 CC(F)(F)c1cc(Nc2nc(N[C@@H]3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4280252 OBDepict F F HN N N N H N N N F F F F F CH 3 IC50 < 50.0 nM 515.44 CC(F)(F)c1cc(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4276915 OBDepict F F F N N N NH N HN F F F F IC50 < 50.0 nM 436.34 FC(F)(F)c1cccc(-c2nc(NCC3CC3(F)F)nc(NCC3CC3(F)F)n2)n1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4281016 OBDepict N N N H N N N NH N H 3 C H F F F F F F IC50 < 50.0 nM 494.4 C[C@@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-c2cccc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4286920 OBDepict N N N H N N N NH N H 3 C H F F F F F F IC50 < 50.0 nM 494.4 C[C@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-c2cccc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4289705 OBDepict N N NH N N N HN N N H F F F F F IC50 < 50.0 nM 491.43 N#CC1(c2cc(Nc3nc(N[C@@H]4CCC(F)(F)C4)nc(-n4ccc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4278189 OBDepict N N NH N N N HN N N H 3 C H F F F F F F IC50 < 50.0 nM 483.38 C[C@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-n2ccc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4277173 OBDepict N N N H N N N NH N H 3 C H F F F F F H 3 C IC50 < 50.0 nM 490.44 C[C@@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-c2cccc(C(C)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4282325 OBDepict N N N H N N N NH N H 3 C H F F F F F H 3 C IC50 < 50.0 nM 490.44 C[C@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-c2cccc(C(C)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4284431 OBDepict N N N H N N HN N N N F F F F F IC50 < 50.0 nM 477.4 N#CC1(c2cc(Nc3nc(NC4CC(F)(F)C4)nc(-n4ccc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4277087 OBDepict F F H N H N N HN N N N N F F F F F F IC50 < 50.0 nM 506.36 FC1(F)CC[C@H](Nc2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3ccnc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4288747 OBDepict N N N H N N N H N N F F F F F IC50 < 50.0 nM 488.42 N#CC1(c2cc(Nc3nc(NCC4CC4(F)F)nc(-c4cccc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4283537 OBDepict F F N H N N N H N N N F F F F F F IC50 < 50.0 nM 491.35 FC(F)(F)c1cc(Nc2nc(NCC3CC3(F)F)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4283321 OBDepict F F F N N H N N N H N S N F F F IC50 < 50.0 nM 461.4 FC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(-c3nc(C(F)(F)F)cs3)n2)ccn1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4294826 OBDepict N N N H N N N NH N H N F F F F F IC50 < 50.0 nM 503.44 N#CC1(c2cc(Nc3nc(N[C@@H]4CCC(F)(F)C4)nc(-c4cncc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4281897 OBDepict N N N H N N N NH N H 3 C H N F F F F F F IC50 < 50.0 nM 495.39 C[C@@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-c2cncc(C(F)(F)F)n2)n1)C(F)(F)F Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4282938 OBDepict N N N H N N N NH N N H F F F F F IC50 < 50.0 nM 503.44 N#CC1(c2cc(Nc3nc(N[C@H]4CCC(F)(F)C4)nc(-c4nccc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format
CHEMBL4280732 OBDepict N N N H N N N NH N N H F F F F F IC50 < 50.0 nM 503.44 N#CC1(c2cc(Nc3nc(N[C@@H]4CCC(F)(F)C4)nc(-c4nccc(C(F)(F)F)n4)n3)ccn2)CC1 Homo sapiens CHEMBL4257014 cell-based format