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P20292 | AL5AP_HUMAN | Arachidonate 5-lipoxygenase-activating protein (ALOX5AP)

3D structures mapped by conservation among orthologs

[ Domain: "MAPEG domain-like" // MAPEG ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL3667000 OBDepict F N F N N H O H O HO N F CH 3 Ki = 0.34 nM 592.66 Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4F)c3c2)c(F)c1 Homo sapiens CHEMBL3705618 assay format
CHEMBL3704300 OBDepict NH 2 N N O F N N NH 2 Ki = 0.4 nM 442.5 Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(N)nc(Cc4ccccc4)n3)c2F)cn1 Homo sapiens CHEMBL3705828 assay format
CHEMBL3700843 OBDepict NH 2 N N F N S O O Ki = 0.4 nM 412.49 Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCCC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3667001 OBDepict F N N N H O H O OH N F H 3 C Ki = 0.42 nM 574.67 Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4)c3c2)c(F)c1 Homo sapiens CHEMBL3705618 assay format
CHEMBL3659304 OBDepict H 2 N N N F O N N H 2 N Ki = 0.5 nM 402.43 Nc1cnc(-c2ccc(C3CCC3)c(Oc3nc(N)c4ccccc4n3)c2F)cn1 Homo sapiens CHEMBL3705828 assay format
CHEMBL3666952 OBDepict CH 3 N F O N N H F F H O HO Br Ki = 0.52 nM 588.42 Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 Homo sapiens CHEMBL3705618 assay format
CHEMBL3700845 OBDepict NH 2 N N F N S O O Ki = 0.6 nM 398.46 Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3697283 OBDepict NH 2 N N F F N N NH 2 Ki = 0.6 nM 452.47 Nc1cnc(-c2ccc(-c3ccccc3-c3ccc(-c4cnc(N)cn4)c(F)c3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3666951 OBDepict CH 3 N F O N N H F F H O HO Br Ki = 0.61 nM 588.42 Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 Homo sapiens CHEMBL3706320 assay format
CHEMBL3929588 OBDepict CH 3 N F O N N H F F H O HO Br Ki = 0.61 nM 588.42 Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 Homo sapiens CHEMBL3705618 assay format
CHEMBL3666964 OBDepict CH 3 O HO CH 3 N N O Br N F H 3 C Ki = 0.64 nM 554.46 CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(Br)cc1)C(=O)O Homo sapiens CHEMBL3705618 assay format
CHEMBL3700861 OBDepict F N N S O O H 3 C H 3 C N H Ki = 0.7 nM 395.46 CC(C)S(=O)(=O)c1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3697342 OBDepict NH 2 N N N F S N H O O CH 3 CH 3 H 3 C Ki = 0.7 nM 401.47 CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnc(-c2cnc(N)nc2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3662244 OBDepict CH 3 N O N N H F H O HO Br Ki = 0.74 nM 552.44 Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4F)c3c2)nc1 Homo sapiens CHEMBL3705618 assay format
CHEMBL3662245 OBDepict CH 3 N O N N H F H O HO Br Ki = 0.74 nM 552.44 Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4F)c3c2)nc1 Homo sapiens CHEMBL3706320 assay format
CHEMBL2031657 OBDepict H N N O O O H H N IC50 = 0.8 nM 489.58 O=c1[nH]nc(-c2ccc(OCc3ccc4ccccc4n3)cc2[C@@]2(c3ccccc3)C[C@H]3CC[C@H]2C3)o1 Homo sapiens CHEMBL2033320 assay format
CHEMBL3666999 OBDepict F N F N N H O H O HO N F CH 3 Ki = 0.82 nM 592.66 Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4F)c3c2)c(F)c1 Homo sapiens CHEMBL3705618 assay format
CHEMBL3659301 OBDepict CH 3 N H N N O H 3 C F N N NH 2 Ki = 0.9 nM 380.43 CNc1nc(C)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 Homo sapiens CHEMBL3705828 assay format
CHEMBL3681322 OBDepict H 2 N N N N N H 3 C H 3 C CH 3 N H O N IC50 = 0.91 nM 463.55 CC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21 Homo sapiens CHEMBL3705412 cell-based format
CHEMBL3666989 OBDepict OH O H H N N F O N N F F CH 3 Ki = 0.96 nM 578.64 Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)C5)cc4F)c3c2)nc1 Homo sapiens CHEMBL3705618 assay format
CHEMBL3688486 OBDepict HO N H H 3 C H 3 C S O O F N N NH 2 Ki = 1.0 nM 416.48 CC(C)(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688441 OBDepict NH 2 N N F S N O O F F Ki = 1.0 nM 448.47 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(F)(F)C3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688446 OBDepict NH 2 N N F S N O O HO F F F Ki = 1.0 nM 496.49 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(O)(C(F)(F)F)CC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688458 OBDepict HO N S O O F N N NH 2 Ki = 1.0 nM 442.52 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(CO)CC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688459 OBDepict OH N S O O F N N NH 2 Ki = 1.0 nM 456.54 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(CCO)CC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688526 OBDepict NH 2 N N F S N H O O N F F F Ki = 1.0 nM 489.45 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3ccc(C(F)(F)F)nc3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688525 OBDepict NH 2 N N F S N H O O H H OH Ki = 1.0 nM 476.53 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3c4ccccc4C[C@@H]3O)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688518 OBDepict NH 2 N N F S N H O O N H O O H 3 C CH 3 H 3 C Ki = 1.0 nM 487.56 CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688516 OBDepict OH N H CH 3 S OH O O F N N H 2 N Ki = 1.0 nM 432.48 CC(CO)(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688513 OBDepict HO N S O O F N N NH 2 H 3 C CH 3 Ki = 1.0 nM 430.51 CC(C)N(CCO)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688468 OBDepict OH N H H OH H S O O F N N NH 2 Ki = 1.0 nM 494.55 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](CO)[C@@H](O)c3ccccc3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688512 OBDepict NH 2 N N F S N O O O Ki = 1.0 nM 468.55 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N(C3CCOCC3)C3CC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL4088763 OBDepict O N CH 3 N H 3 C CH 3 H 3 C N O N N N N H 2 N IC50 = 1.0 nM 486.58 CN(C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1)C(C)(C)C Homo sapiens CHEMBL4047400 cell-based format
CHEMBL3688472 OBDepict OH N H H S O O F N N NH 2 Ki = 1.0 nM 464.52 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](CO)c3ccccc3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688473 OBDepict NH 2 N N F S N H O O CH 3 H OH H Ki = 1.0 nM 478.55 C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)[C@@H](O)c1ccccc1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688508 OBDepict HO N S O O F N N NH 2 Ki = 1.0 nM 470.57 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N(CCO)C3CCCCC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688507 OBDepict NH 2 N N F S N H O O H H H 2 N Ki = 1.0 nM 441.53 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CC[C@@H](N)CC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688506 OBDepict HO N H S O O F N N NH 2 Ki = 1.0 nM 444.53 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCCCCCO)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688480 OBDepict NH 2 N N F S N H O O Ki = 1.0 nM 398.46 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3CC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688502 OBDepict NH 2 N N F S N O O N N H Ki = 1.0 nM 450.5 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCc4[nH]ncc4C3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688498 OBDepict OH H H N H S O O F N N NH 2 Ki = 1.0 nM 456.54 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCC[C@@H]3CO)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688527 OBDepict NH 2 N N F S N O O N N H Ki = 1.0 nM 478.55 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(c4c[nH]cn4)CC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688495 OBDepict HO N H H S O O F N N NH 2 Ki = 1.0 nM 478.55 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H](CO)Cc3ccccc3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL4080876 OBDepict N N N O N N N N NH 2 IC50 = 1.0 nM 412.46 N#CCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1 Homo sapiens CHEMBL4047400 cell-based format
CHEMBL3700900 OBDepict HO N H H CH 3 CH 3 S O O F N N H 2 N Ki = 1.0 nM 430.51 CC(C)[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688497 OBDepict NH 2 N N F S N H O O H H HO Ki = 1.0 nM 442.52 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCC[C@@H]3O)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693117 OBDepict F N N S N O O N H Ki = 1.0 nM 436.51 O=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCCCC1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688537 OBDepict H 3 C O N H CH 3 H S O O F N N H 2 N Ki = 1.0 nM 416.48 COC[C@H](C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693132 OBDepict F N S O N O O S O O NH Ki = 1.0 nM 503.58 O=S1(=O)CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc4c(c3)OCCN4)c(F)c2)CC1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693170 OBDepict F N S N H O O CH 3 CH 3 H 3 C NH Ki = 1.0 nM 425.53 CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)CCN3)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693172 OBDepict H 3 C O N NH 2 N F S N H O O H 3 C H 3 C CH 3 Ki = 1.0 nM 430.51 COc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2F)cnc1N Homo sapiens CHEMBL3706373 assay format
CHEMBL3693173 OBDepict N N H 2 N N F S N H O O CH 3 CH 3 H 3 C Ki = 1.0 nM 425.49 CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C#N)n2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693122 OBDepict HO N H CH 3 H S O O F N N N H Ki = 1.0 nM 426.47 C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693177 OBDepict H 2 N N S N F S N H O O CH 3 CH 3 H 3 C Ki = 1.0 nM 406.51 CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(N)s2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693180 OBDepict F N N S Cl N H O O CH 3 CH 3 H 3 C H 2 N Ki = 1.0 nM 434.92 CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Cl)n2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693121 OBDepict H 3 C N H S O O F N N N H Ki = 1.0 nM 382.42 CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693181 OBDepict F N N S Br N H O O CH 3 CH 3 H 3 C H 2 N Ki = 1.0 nM 479.38 CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Br)n2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693184 OBDepict F N N S CH 3 N H O O CH 3 CH 3 H 3 C NH 2 Ki = 1.0 nM 414.51 Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2F)cnc1N Homo sapiens CHEMBL3706373 assay format
CHEMBL3693120 OBDepict HO N H CH 3 H S O O F N N N H Ki = 1.0 nM 426.47 C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693116 OBDepict H 3 C N S O O F N N N H H 3 C Ki = 1.0 nM 424.5 CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693114 OBDepict F N N S N H O O CH 3 CH 3 H 3 C N H Ki = 1.0 nM 424.5 CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693194 OBDepict OH N H N F S N H O O CH 3 CH 3 H 3 C Ki = 1.0 nM 453.54 CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]cc(CO)c3c2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688535 OBDepict H 2 N N N F S N H O O CH 3 O Ki = 1.0 nM 414.46 CC1(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)COC1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693110 OBDepict F N S N H O O CH 3 CH 3 H 3 C N H Ki = 1.0 nM 423.51 CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693106 OBDepict HO N H CH 3 H S O O F N N H Ki = 1.0 nM 425.49 C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693105 OBDepict HO N H CH 3 H S O O F N N H Ki = 1.0 nM 425.49 C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693096 OBDepict H 2 N N F S N H O O CH 3 Ki = 1.0 nM 411.5 CC1(NS(=O)(=O)c2ccccc2-c2ccc(-c3ccc(N)nc3)c(F)c2)CCC1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693093 OBDepict CH 3 N H H 3 C CH 3 S O O F N H 2 N Ki = 1.0 nM 413.52 CCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3697207 OBDepict NH 2 N N O F N N H Ki = 1.0 nM 397.41 Nc1nccc(Oc2ccccc2-c2ccc(-c3cnc4[nH]ccc4c3)c(F)c2)n1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3697208 OBDepict NH 2 N N O F N N H Ki = 1.0 nM 397.41 Nc1ccnc(Oc2ccccc2-c2ccc(-c3cnc4[nH]ccc4c3)c(F)c2)n1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693060 OBDepict NH 2 N N F S N O O HO F F F Ki = 1.0 nM 468.43 Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(O)(C(F)(F)F)C3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3697219 OBDepict NH 2 N N F O N N H 2 N Ki = 1.0 nM 374.38 Nc1cnc(-c2ccc(-c3ccccc3Oc3cc(N)ncn3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688598 OBDepict NH 2 N N F S N N NH 2 Ki = 1.0 nM 390.45 Nc1cnc(-c2ccc(-c3ccccc3Sc3ccnc(N)n3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688573 OBDepict NH 2 N N F S N NH 2 N Ki = 1.0 nM 390.45 Nc1cnc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3697238 OBDepict NH 2 N N F O N N F F F NH 2 Ki = 1.0 nM 442.38 Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3nccc(N)n3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688568 OBDepict CH 3 N N S O O F F F F N N H 2 N Ki = 1.0 nM 495.5 CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688567 OBDepict H 3 C N H S O O F F F F N N NH 2 Ki = 1.0 nM 440.42 CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688566 OBDepict O HN N S O O F F F F N N NH 2 Ki = 1.0 nM 495.46 Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCNC(=O)C3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693109 OBDepict HO N H S O O F N N H Ki = 1.0 nM 411.46 O=S(=O)(NCCO)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688438 OBDepict CH 3 N S O O F N N H 2 N H 3 C Ki = 1.0 nM 400.48 CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3693133 OBDepict F N S O N H O O CH 3 CH 3 H 3 C HN Ki = 1.0 nM 441.53 CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3940195 OBDepict HO N H H CH 3 H 3 C CH 3 S O O F N N H 2 N Ki = 1.0 nM 444.53 CC(C)(C)[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3985496 OBDepict NH 2 N N F S N H O O OH H Ki = 1.0 nM 464.52 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC[C@H](O)c3ccccc3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3704256 OBDepict CH 3 O N N O H 2 N F N N NH 2 Ki = 1.0 nM 382.4 COc1nc(N)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 Homo sapiens CHEMBL3705828 assay format
CHEMBL3688400 OBDepict NH 2 N N F S N H O O CH 3 CH 3 H 3 C Ki = 1.0 nM 400.48 CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688402 OBDepict NH 2 N N F S N H O O Ki = 1.0 nM 426.52 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CCCCC3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3704248 OBDepict H 2 N N N F O N N S Ki = 1.0 nM 419.49 Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(-c4cccs4)n3)c2F)cn1 Homo sapiens CHEMBL3705828 assay format
CHEMBL3639872 OBDepict NH 2 N N F S N H O O Ki = 1.0 nM 420.47 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3ccccc3)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3704245 OBDepict H 2 N N N F O N N Ki = 1.0 nM 413.46 Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(-c4ccccc4)n3)c2F)cn1 Homo sapiens CHEMBL3705828 assay format
CHEMBL3688404 OBDepict NH 2 N N F S N H O O CH 3 F F F Ki = 1.0 nM 440.42 CC(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F Homo sapiens CHEMBL3706373 assay format
CHEMBL4112424 OBDepict NH 2 N N F S N H O O H H OH Ki = 1.0 nM 476.53 Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3c4ccccc4C[C@H]3O)cc2F)cn1 Homo sapiens CHEMBL3706373 assay format
CHEMBL4109863 OBDepict N N H H 3 C H S O O F N N NH 2 Ki = 1.0 nM 411.46 C[C@H](CC#N)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 Homo sapiens CHEMBL3706373 assay format
CHEMBL3688409 OBDepict NH 2 N N F S N H O O CH 3 CH 3 F F F Ki = 1.0 nM 454.45 CC(C)(NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F Homo sapiens CHEMBL3706373 assay format
CHEMBL3417524 OBDepict O N CH 3 CH 3 N N O N N H 3 C N H 2 N IC50 = 1.1 nM 457.54 CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)cc3)C3CC3)no2)cn1 Homo sapiens CHEMBL3420840 cell-based format
CHEMBL2031658 OBDepict H 3 C O H H O O N N O H N IC50 = 1.1 nM 519.6 COc1cccc([C@]2(c3cc(OCc4ccc5ccccc5n4)ccc3-c3n[nH]c(=O)o3)C[C@H]3CC[C@H]2C3)c1 Homo sapiens CHEMBL2033320 assay format
CHEMBL2031647 OBDepict H N N S O O H H N IC50 = 1.1 nM 505.64 S=c1[nH]nc(-c2ccc(OCc3ccc4ccccc4n3)cc2[C@]2(c3ccccc3)C[C@H]3CC[C@H]2C3)o1 Homo sapiens CHEMBL2033320 assay format
CHEMBL3666954 OBDepict OH O H H N N F F O Br N CH 3 Ki = 1.1 nM 570.43 Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)nc1 Homo sapiens CHEMBL3705618 assay format
CHEMBL3704298 OBDepict H 2 N N N F O N N Ki = 1.1 nM 413.46 Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(-c4ccccc4)n3)c2F)cn1 Homo sapiens CHEMBL3705828 assay format
CHEMBL3666924 OBDepict OH O H H N N F O Br N N H 3 C Ki = 1.1 nM 541.42 Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1 Homo sapiens CHEMBL3705618 assay format
CHEMBL3895376 OBDepict HO O H H N N O Br N F H 3 C Ki = 1.1 nM 552.44 Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)c(F)c1 Homo sapiens CHEMBL3705618 assay format