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O43318 | M3K7_HUMAN | Mitogen-activated protein kinase kinase kinase 7 (MAP3K7)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL3885421 OBDepict H 2 C O O N H N Cl N HN N N O CH 3 IC50 = 1.7 nM 492.97 C=CC(=O)Oc1ccccc1Nc1nc(Nc2cccc(N3CCN(C(C)=O)CC3)c2)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL3823127 OBDepict CH 3 N N O N H O S N N O H IC50 = 2.3 nM 473.56 CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(=O)[nH]cnc34)c(-c3ccccc3)c2)CC1 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL3884839 OBDepict H 3 C O N N NH N N O Cl HN O H 2 C IC50 = 2.4 nM 414.85 C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(CCOC)c2)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL3823992 OBDepict H 3 C N N O O N H F H 3 C O S N N O H IC50 = 3.0 nM 459.5 CC(F)Oc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(=O)[nH]cnc12 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL3884616 OBDepict CH 2 O O N H N Cl N NH N O IC50 = 3.2 nM 451.91 C=CC(=O)Oc1ccccc1Nc1nc(Nc2cccc(N3CCOCC3)c2)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL3884569 OBDepict CH 2 O O NH N Cl N N H N N H 3 C IC50 = 3.3 nM 464.96 C=CC(=O)Oc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL3823882 OBDepict CH 3 N N O N H H 3 C CH 3 O S N N O H IC50 = 3.5 nM 439.54 CC(C)c1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(=O)[nH]cnc12 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL3884229 OBDepict CH 2 O O NH N Cl N N H N O IC50 = 4.4 nM 451.91 C=CC(=O)Oc1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL3884281 OBDepict CH 2 NH O O N Cl N N H N N O IC50 = 4.6 nM 440.89 C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(C3CCOCC3)c2)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL3822845 OBDepict CH 3 N N O N N H CH 3 H 3 C O S N N O H IC50 = 5.0 nM 440.53 CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(=O)[nH]cnc34)c(N(C)C)c2)CC1 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL3822712 OBDepict CH 3 N N O O N H F F F F F F O S N N O H IC50 = 5.2 nM 563.48 CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(=O)[nH]cnc34)c(OC(C(F)(F)F)C(F)(F)F)c2)CC1 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL3823000 OBDepict CH 3 N N O Cl N H O S N N O H IC50 = 5.8 nM 431.91 CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(=O)[nH]cnc34)c(Cl)c2)CC1 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL3822889 OBDepict CH 3 N N O N H O S N N O H IC50 = 6.7 nM 479.61 CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(=O)[nH]cnc34)c(C3CCCCC3)c2)CC1 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL3884642 OBDepict CH 2 NH O O N Cl N N H N N F F IC50 = 7.0 nM 406.78 C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(C(F)F)c2)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL3884143 OBDepict CH 2 HN O O N Cl N HN N N CH 3 IC50 = 7.3 nM 370.8 C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(C)c2)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL3823892 OBDepict CH 3 N N O Br N H O S N N O H IC50 = 7.3 nM 476.36 CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(=O)[nH]cnc34)c(Br)c2)CC1 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL3823303 OBDepict H 3 C HN O N N N F N N N OH IC50 = 8.0 nM 477.54 CCc1cc(Nc2ncc(F)c(-c3cnc4cccnn34)n2)cc(OCCN2CCC(O)CC2)c1 Homo sapiens CHEMBL3826557 assay format
CHEMBL3822535 OBDepict CH 3 N H 3 C N H N O O S N N CH 3 N O H IC50 = 9.3 nM 454.56 CCN(C)c1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(=O)[nH]cnc12 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL2407758 OBDepict H 3 C N O N N N O NH 2 S N IC50 = 10.0 nM 458.55 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6ncsc56)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL3823738 OBDepict CH 3 N N O O N H CH 3 CH 3 O S N N O H IC50 = 11.0 nM 455.54 CC(C)Oc1c(NC(=O)c2csc3c(=O)[nH]cnc23)cccc1C(=O)N1CCN(C)CC1 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL2407759 OBDepict H 3 C N O N N N O NH 2 S N N IC50 = 12.0 nM 459.54 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6nnsc56)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL3823335 OBDepict CH 3 O N H HN O O S N N N O H N CH 3 IC50 = 13.0 nM 484.58 COc1cc(C(=O)NCCCN2CCN(C)CC2)ccc1NC(=O)c1csc2c(=O)[nH]cnc12 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL3735673 OBDepict O N H N N + N O _ O H N H OH Ki = 15.0 nM 477.57 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3737184 single protein format
CHEMBL3824212 OBDepict CH 3 O N H N O O S N N CH 3 N O H IC50 = 15.0 nM 427.49 COc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(=O)[nH]cnc12 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL2408610 OBDepict H 2 N N O N N S N N H H OH IC50 = 15.0 nM 432.51 Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2cc(-c3cccc4nnsc34)oc12 Homo sapiens CHEMBL2410822 cell-based format
CHEMBL2408612 OBDepict N O N H 2 N S N N N N H H OH IC50 = 17.0 nM 457.52 N#Cc1c(-c2cccc3nnsc23)oc2c(N)ncc(-c3cnn([C@H]4CC[C@H](O)CC4)c3)c12 Homo sapiens CHEMBL2410822 cell-based format
CHEMBL2408616 OBDepict F F O N NH 2 S N N N N H H HO IC50 = 20.0 nM 482.52 Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2c(C(F)F)c(-c3cccc4nnsc34)oc12 Homo sapiens CHEMBL2410822 cell-based format
CHEMBL4128584 OBDepict Cl HN O N H N Cl N N H N N CH 3 IC50 = 25.0 nM 486.41 CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4NC(=O)CCl)n3)cc2)CC1 Homo sapiens CHEMBL4118523 single protein format
CHEMBL3883823 OBDepict Cl HN O O N Cl N N H N N CH 3 IC50 = 25.0 nM 487.39 CN1CCN(c2ccc(Nc3ncc(Cl)c(Oc4ccccc4NC(=O)CCl)n3)cc2)CC1 Homo sapiens CHEMBL3876688 assay format
CHEMBL2408611 OBDepict H 2 N N O Cl N N S N N H H OH IC50 = 28.0 nM 466.95 Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2c(Cl)c(-c3cccc4nnsc34)oc12 Homo sapiens CHEMBL2410644 cell-based format
CHEMBL3734854 OBDepict OH H H N NH N O N + N O _ O Ki = 30.0 nM 491.59 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3737184 single protein format
CHEMBL471474 OBDepict CH 3 O OH H O O O H H H 3 C H OH H HO O IC50 = 33.0 nM 378.38 COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O Homo sapiens CHEMBL3632095 single protein format
CHEMBL3885166 OBDepict CH 2 NH O O N N H N N H N N CH 3 IC50 = 34.0 nM 469.55 C=CC(=O)Nc1ccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]ccc23)cc1 Homo sapiens CHEMBL3876688 assay format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 35.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL973463 single protein format
CHEMBL3823018 OBDepict H 3 C N N O CH 3 N H O S N N O H IC50 = 41.0 nM 411.49 Cc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(=O)[nH]cnc12 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL2408614 OBDepict NH 2 N O S N N S N N N H H HO IC50 = 43.0 nM 515.62 Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2c(-c3cncs3)c(-c3cccc4nnsc34)oc12 Homo sapiens CHEMBL2410822 cell-based format
CHEMBL3918925 OBDepict CH 3 N H O N H O N N H 3 C H 3 C IC50 = 43.0 nM 274.32 CNC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3969384 OBDepict NH 2 O N H N O N F IC50 = 43.0 nM 312.3 NC(=O)/C=C/c1c[nH]c2ncnc(OCc3cccc(F)c3)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL2407757 OBDepict H 3 C N O N N N O NH 2 S N IC50 = 44.0 nM 458.55 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6cnsc56)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL2408615 OBDepict F O N NH 2 S N N N N H H HO IC50 = 45.0 nM 464.53 Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2c(CF)c(-c3cccc4nnsc34)oc12 Homo sapiens CHEMBL2410822 cell-based format
CHEMBL3883384 OBDepict CH 2 NH O NH N Cl N N H N N H 3 C IC50 = 50.0 nM 463.97 C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL4798527 OBDepict H 3 C N H N O N NH 2 N N H CH 3 F F F H HO IC50 = 50.0 nM 548.57 Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 Homo sapiens CHEMBL4766176 single protein format
CHEMBL3824153 OBDepict CH 3 O N N S N H O H 2 N O H 2 N IC50 = 50.0 nM 417.54 COCCN1CCN(Cc2ccc(-c3cc(NC(N)=O)c(C(N)=O)s3)cc2)CC1 Homo sapiens CHEMBL3826556 single protein format
CHEMBL3884914 OBDepict CH 2 HN O O N N N H N N H 3 C IC50 = 57.0 nM 470.58 C=CC(=O)Nc1ccccc1Oc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C1CC1 Homo sapiens CHEMBL3876688 assay format
CHEMBL4764071 OBDepict HO N CH 3 H N N N N H N H O N IC50 = 63.7 nM 389.42 C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1 Homo sapiens CHEMBL4686917 single protein format
CHEMBL3883761 OBDepict CH 2 NH O O N O N N H CH 3 N N H 3 C IC50 = 75.0 nM 460.54 C=CC(=O)Nc1ccccc1Oc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1OC Homo sapiens CHEMBL3876688 assay format
CHEMBL3629241 OBDepict H 3 C O F F OH O O H H 3 C H OH H OH O IC50 = 77.0 nM 400.37 COC1=CC(O)C2=C(/C=C/C[C@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O)C1(F)F Homo sapiens CHEMBL3632095 single protein format
CHEMBL3919781 OBDepict H 2 N O N H N O N CH 3 H 3 C CH 3 IC50 = 78.0 nM 274.32 CC(C)(C)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL1077979 OBDepict CH 3 O OH O O H HO H CH 3 H HO O IC50 = 80.0 nM 362.38 COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O Homo sapiens CHEMBL3374134 single protein format
CHEMBL3884813 OBDepict CH 2 NH O S N Cl N N H N N H 3 C IC50 = 83.0 nM 481.03 C=CC(=O)Nc1ccccc1Sc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL3953067 OBDepict H 3 C CH 3 O N N N H O NH 2 IC50 = 85.0 nM 260.3 CC(C)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL4763562 OBDepict O N H HN N N N N N CH 3 H 3 C IC50 = 85.2 nM 373.42 CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1 Homo sapiens CHEMBL4686917 single protein format
CHEMBL3919844 OBDepict CH 3 N H O N H O N N CH 3 H 3 C IC50 = 87.0 nM 288.35 CCNC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3885038 OBDepict CH 2 NH O O N CH 3 N N H N N H 3 C IC50 = 92.0 nM 444.54 C=CC(=O)Nc1ccccc1Oc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C Homo sapiens CHEMBL3876688 assay format
CHEMBL2407760 OBDepict CH 3 N O N N N O H 2 N S N IC50 = 110.0 nM 458.55 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5csc6cnccc56)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL3736036 OBDepict HO H H N HN N O N F F F Ki = 130.0 nM 514.59 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3737184 single protein format
CHEMBL2408613 OBDepict NH 2 N O N N S N N N H H HO IC50 = 130.0 nM 509.6 Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2c(-c3cccnc3)c(-c3cccc4nnsc34)oc12 Homo sapiens CHEMBL2410822 cell-based format
CHEMBL3901893 OBDepict NH 2 O N H N O N F F F IC50 = 150.0 nM 286.21 NC(=O)/C=C/c1c[nH]c2ncnc(OCC(F)(F)F)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3822835 OBDepict N N N HN CH 3 CH 3 H 3 C N H O CH 3 O N IC50 = 156.0 nM 466.55 Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C#N)c2)ccc1Oc1ccncc1 Homo sapiens CHEMBL3826094 single protein format
CHEMBL3883384 OBDepict CH 2 NH O NH N Cl N N H N N H 3 C Ki = 160.0 nM 463.97 C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl Homo sapiens CHEMBL3876691 single protein format
CHEMBL3924740 OBDepict CH 3 O CH 3 N N N H O H 2 N IC50 = 170.0 nM 246.27 CC(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3934288 OBDepict CH 3 H 3 C O N N N H N H O IC50 = 180.0 nM 300.36 CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NC3CC3)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3905384 OBDepict CH 3 O N N N H O H 2 N IC50 = 180.0 nM 246.27 CCCOc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3912681 OBDepict NH 2 O N H O N N F F IC50 = 180.0 nM 322.32 NC(=O)/C=C/c1c[nH]c2ncnc(OC3CCC(F)(F)CC3)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3916326 OBDepict H 3 C O CH 3 N N N H O H 2 N IC50 = 190.0 nM 260.3 CCC(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3919897 OBDepict CH 3 H 3 C O N N N H N O CH 3 H 3 C IC50 = 190.0 nM 288.35 CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)N(C)C)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL2408617 OBDepict H 3 C N N N O NH 2 S N IC50 = 190.0 nM 347.4 Cn1cc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)cn1 Homo sapiens CHEMBL2410822 cell-based format
CHEMBL2407792 OBDepict CH 3 N O N N N O H 2 N + N O _ O IC50 = 200.0 nM 446.47 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc([N+](=O)[O-])c5)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL3823067 OBDepict CH 3 N N O F N H O S N N O H IC50 = 220.0 nM 415.45 CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(=O)[nH]cnc34)c(F)c2)CC1 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL4538743 OBDepict H 2 C NH O NH N N N H O N N H 3 C IC50 = 224.0 nM 495.59 C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1-c1ccoc1 Homo sapiens CHEMBL4357707 assay format
CHEMBL4786783 OBDepict CH N N N H N N H O NH 2 IC50 = 240.0 nM 292.3 C#Cc1nc(Nc2cccc(CC(N)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700136 single protein format
CHEMBL3822673 OBDepict CH 3 O N H N H O O S N N N N CH 3 IC50 = 260.0 nM 468.58 COc1cc(C(=O)NCCCN2CCN(C)CC2)ccc1NC(=O)c1csc2cncnc12 Homo sapiens CHEMBL3826003 cell-based format
CHEMBL2407761 OBDepict CH 3 N O N N N O H 2 N N H 3 C N IC50 = 340.0 nM 455.52 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cn(C)c6cnccc56)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL3885007 OBDepict CH 2 O O NH N Cl N N H O H 3 C N N H 3 C IC50 = 342.0 nM 494.98 C=CC(=O)Oc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2OC)ncc1Cl Homo sapiens CHEMBL3876688 assay format
CHEMBL1835063 OBDepict NH 2 O N NH N N H H 2 N F F F IC50 = 356.0 nM 380.37 NC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4629878 single protein format
CHEMBL3884960 OBDepict CH 2 NH O O N Cl N N H N N H 3 C IC50 = 360.0 nM 464.96 C=CC(=O)Nc1ccccc1Oc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl Homo sapiens CHEMBL3876691 single protein format
CHEMBL3629242 OBDepict CH 3 O Br OH O O H CH 3 H HO H HO O IC50 = 360.0 nM 441.27 COc1cc(O)c2c(c1Br)/C=C/C[C@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O Homo sapiens CHEMBL3632095 single protein format
CHEMBL2407767 OBDepict N O H 2 N N N N N O H 3 C IC50 = 370.0 nM 426.48 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(C#N)c5)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL3629243 OBDepict CH 3 O OH O O H O H H 3 C H O H 3 C H 3 C O IC50 = 380.0 nM 402.44 COc1cc(O)c2c(c1)/C=C/C[C@@H]1OC(C)(C)O[C@@H]1C(=O)/C=CC[C@H](C)OC2=O Homo sapiens CHEMBL3632095 single protein format
CHEMBL4751918 OBDepict O N H HN N N N N N N CH 3 H 3 C IC50 = 421.2 nM 374.41 CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncnc3ccccc23)n1 Homo sapiens CHEMBL4686917 single protein format
CHEMBL2407763 OBDepict CH 3 N O N N N O H 2 N S IC50 = 440.0 nM 457.56 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5csc6ccccc56)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL2407772 OBDepict OH O H 2 N N N N N O H 3 C IC50 = 470.0 nM 431.5 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(CO)c5)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL4793380 OBDepict O NH N H N O H 3 C H 3 C CH 3 N H N O N HN IC50 = 484.0 nM 423.48 CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1 Homo sapiens CHEMBL4767038 single protein format
CHEMBL2407777 OBDepict HO O H 2 N N N N N O H 3 C IC50 = 500.0 nM 417.47 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(O)cc5)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL2407779 OBDepict CH 3 S O NH 2 N N N N O H 3 C IC50 = 500.0 nM 447.56 CSc1ccccc1-c1cc2c(-c3cnn(C4CCN(C(C)=O)CC4)c3)cnc(N)c2o1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL2407793 OBDepict NH 2 O H 2 N N N N N O H 3 C IC50 = 510.0 nM 416.49 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(N)c5)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL2407958 OBDepict CH 3 N O N N N O H 2 N IC50 = 520.0 nM 401.47 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL2407787 OBDepict N O H 2 N N N N N O H 3 C IC50 = 530.0 nM 440.51 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5CC#N)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL4574265 OBDepict H 2 C NH O NH N N N H S N N H 3 C IC50 = 543.0 nM 511.66 C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1-c1cccs1 Homo sapiens CHEMBL4357707 assay format
CHEMBL2407795 OBDepict OH O H 2 N N N N N O H 3 C IC50 = 610.0 nM 417.47 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(O)c5)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL3925269 OBDepict CH 3 O O H 3 C N H O N N CH 3 H 3 C IC50 = 620.0 nM 289.34 COC(=O)/C(C)=C/c1c[nH]c2ncnc(OCC(C)C)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3929132 OBDepict CH 3 H 3 C O N N N H N H O IC50 = 630.0 nM 314.39 CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NCC3CC3)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL2012881 OBDepict OH N N N H O N H IC50 = 650.0 nM 280.29 O=c1[nH]nc2cc(CO)c3ccc(-c4ccc[nH]4)cc3n12 Homo sapiens CHEMBL2013789 single protein format
CHEMBL2407098 OBDepict CH 3 N H 3 C O H 2 N N N N N O H 3 C IC50 = 690.0 nM 444.54 CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(N(C)C)c5)cc34)cn2)CC1 Homo sapiens CHEMBL2412855 cell-based format
CHEMBL3736465 OBDepict OH N HN N O N F F F Ki = 700.0 nM 522.57 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3737184 single protein format
CHEMBL4776637 OBDepict O N H HN N N N N N CH 3 H 3 C IC50 = 734.4 nM 323.36 CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccccn2)n1 Homo sapiens CHEMBL4686917 single protein format
CHEMBL3973552 OBDepict CH 3 H 3 C O N N N H Cl O H 2 N IC50 = 750.0 nM 294.74 CC(C)COc1ncnc2[nH]cc(/C=C(Cl)C(N)=O)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3735719 OBDepict O N H N N + N O _ O N Ki = 800.0 nM 455.52 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3737184 single protein format
CHEMBL3895447 OBDepict CH 3 O O N H N O N IC50 = 800.0 nM 309.32 COC(=O)/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 Homo sapiens CHEMBL3880358 cell-based format
CHEMBL3917140 OBDepict CH 3 H 3 C O N N N H O H 2 N IC50 = 850.0 nM 258.28 CC(C)COc1ncnc2[nH]cc(C#CC(N)=O)c12 Homo sapiens CHEMBL3880358 cell-based format