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P80192 | M3K9_HUMAN | Mitogen-activated protein kinase kinase kinase 9 (MAP3K9)

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
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 1.52 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328502 single protein format
CHEMBL4218417 OBDepict OH N N H O N H O H 3 C CH 3 IC50 = 13.0 nM 427.5 CC(C)OCc1ccc2c(c1)c1c3c(c4c5ccccc5[nH]c4c1n2CCO)CNC3=O Homo sapiens CHEMBL4199315 assay format
CHEMBL3989870 OBDepict CH 3 N H N O N NH 2 N S O O H 3 C H 3 C Ki = 15.0 nM 463.56 CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1 Homo sapiens CHEMBL4352769 single protein format
CHEMBL289772 OBDepict HO N H O O N H N CH 3 OH O O CH 3 OH IC50 = 15.0 nM 527.53 COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4c(c5c6cc(CO)ccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL873946 single protein format
CHEMBL288817 OBDepict CH 3 O N H O O N H N OH H 3 C O O CH 3 O H 3 C IC50 = 16.0 nM 555.59 COCc1ccc2c(c1)c1c3c(c4c5cc(COC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O Homo sapiens CHEMBL873946 single protein format
CHEMBL277817 OBDepict CH 3 O N H O O N H N H 3 C OH O O CH 3 O H 3 C IC50 = 19.0 nM 583.64 CCOCc1ccc2c(c1)c1c3c(c4c5cc(COCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O Homo sapiens CHEMBL873946 single protein format
CHEMBL2436978 OBDepict CH 3 N N N N H N H IC50 = 19.0 nM 421.55 CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1 Homo sapiens CHEMBL2439775 single protein format
CHEMBL416056 OBDepict CH 3 O O HO CH 3 O N H N N H O IC50 = 22.0 nM 467.48 COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL911978 assay format
CHEMBL386636 OBDepict O N H O N H IC50 = 22.0 nM 338.37 O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCc2ccccc2-1 Homo sapiens CHEMBL911978 assay format
CHEMBL460990 OBDepict OH N N H O O H 3 C H 3 C IC50 = 26.0 nM 426.52 CC(C)Oc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCO)c13)CNC2=O Homo sapiens CHEMBL1003945 single protein format
CHEMBL288229 OBDepict CH 3 S N CH 3 O N H N HO O H O O CH 3 IC50 = 28.0 nM 541.63 CCSCc1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2[C@@]1(C)O[C@@H]5C[C@]1(O)C(=O)OC)C(=O)NC3 Homo sapiens CHEMBL873946 single protein format
CHEMBL36891 OBDepict H 3 C S N H O O N H N HO H 3 C O O H 3 C IC50 = 43.0 nM 541.63 CCSCc1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O Homo sapiens CHEMBL873946 single protein format
CHEMBL2151321 OBDepict CH 3 O H 3 C N H N N N N NH CH 3 H N F IC50 = 44.3 nM 381.42 CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1 Homo sapiens CHEMBL2154714 single protein format
CHEMBL374581 OBDepict O N H N H IC50 = 46.0 nM 324.38 O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)CCc1ccccc1-3 Homo sapiens CHEMBL911978 assay format
CHEMBL517743 OBDepict OH N N H O O IC50 = 49.0 nM 452.55 O=C1NCc2c1c1c(c3c2c2ccccc2n3CCO)CCc2cc(OC3CCCC3)ccc2-1 Homo sapiens CHEMBL1003945 single protein format
CHEMBL3593777 OBDepict N N N H F H NH N O NH 2 N H IC50 = 51.0 nM 379.4 N#Cc1ccc(N2CC[C@@H](Nc3c(C(N)=O)cnc4[nH]ccc34)[C@@H](F)C2)nc1 Homo sapiens CHEMBL3595102 single protein format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 52.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261422 single protein format
CHEMBL2177736 OBDepict NH 2 O N NH N HN H N H H 2 N N N IC50 = 60.0 nM 393.45 NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1 Homo sapiens CHEMBL3707992 single protein format
CHEMBL492258 OBDepict H 3 C O H 3 C O N H N H IC50 = 66.0 nM 382.46 CC(C)Oc1ccc2c(c1)CCc1c-2c2c(c3c1[nH]c1ccccc13)CNC2=O Homo sapiens CHEMBL1003945 single protein format
CHEMBL3393333 OBDepict N N N H N N N F F O IC50 = 67.8 nM 440.5 N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)c1 Homo sapiens CHEMBL3395595 single protein format
CHEMBL126545 OBDepict H N S O N H O IC50 = 68.0 nM 342.38 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 Homo sapiens CHEMBL911978 assay format
CHEMBL357490 OBDepict O N H N H IC50 = 69.0 nM 310.36 O=C1NCc2c1c1c(c3[nH]c4ccccc4c23)Cc2ccccc2-1 Homo sapiens CHEMBL911978 assay format
CHEMBL517117 OBDepict HO N N H O O CH 3 IC50 = 101.0 nM 412.49 COc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCCO)c13)CNC2=O Homo sapiens CHEMBL1003945 single protein format
CHEMBL460989 OBDepict HO N N H O O CH 3 IC50 = 103.0 nM 398.46 COc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCO)c13)CNC2=O Homo sapiens CHEMBL1003945 single protein format
CHEMBL221536 OBDepict O N H S N H IC50 = 111.0 nM 328.4 O=C1NCc2c1c1c3ccccc3sc1c1[nH]c3ccccc3c21 Homo sapiens CHEMBL911978 assay format
CHEMBL16958 OBDepict H N N H N H O IC50 = 138.0 nM 311.34 O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Homo sapiens CHEMBL911978 assay format
CHEMBL2312654 OBDepict CH 3 N H 3 C NH N N N H O N CH 3 Cl Cl IC50 = 160.0 nM 461.4 Cc1cc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)on1 Homo sapiens CHEMBL2319701 single protein format
CHEMBL148471 OBDepict O N H N H IC50 = 167.0 nM 310.36 O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)Cc1ccccc1-3 Homo sapiens CHEMBL911978 assay format
CHEMBL492257 OBDepict H 3 C O O N H N H IC50 = 188.0 nM 354.41 COc1ccc2c(c1)CCc1c-2c2c(c3c1[nH]c1ccccc13)CNC2=O Homo sapiens CHEMBL1003945 single protein format
CHEMBL1922094 OBDepict O N OH CH 3 H N S CH 3 N N N O N N H 2 N IC50 = 232.0 nM 498.61 Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12 Homo sapiens CHEMBL1925485 single protein format
CHEMBL4786783 OBDepict CH N N N H N N H O NH 2 IC50 = 270.0 nM 292.3 C#Cc1nc(Nc2cccc(CC(N)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700132 single protein format
CHEMBL332575 OBDepict O N H O N H IC50 = 300.0 nM 336.35 O=C1NC(=O)c2c1c1c3ccccc3ccc1c1[nH]c3ccccc3c21 Homo sapiens CHEMBL911978 assay format
CHEMBL426719 OBDepict O N H N O H IC50 = 308.0 nM 312.33 O=C1NCc2c1c1c3ccccc3[nH]c1c1oc3ccccc3c21 Homo sapiens CHEMBL911978 assay format
CHEMBL2208034 OBDepict O N H H N H N N NH N O IC50 = 370.0 nM 444.54 O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@H]1CCCN1 Homo sapiens CHEMBL2212850 single protein format
CHEMBL2333445 OBDepict CH 3 N N CH 3 S H N O O IC50 = 370.0 nM 339.42 CCc1ccc(-c2ccc3c(c2)-c2[nH]ncc2S(=O)(=O)N3C)cc1 Homo sapiens CHEMBL2349758 single protein format
CHEMBL220497 OBDepict O N H S IC50 = 482.0 nM 327.41 O=C1NCc2c1c1c(c3sc4ccccc4c23)Cc2ccccc2-1 Homo sapiens CHEMBL911978 assay format
CHEMBL1084926 OBDepict H 2 N N N N N N S O OH CH 3 H 3 C IC50 = 591.0 nM 372.45 CC(C)(O)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1 Homo sapiens CHEMBL1103326 single protein format
CHEMBL4564337 OBDepict H 3 C O Br N O H N N H IC50 = 600.0 nM 358.2 COc1cc2c(-c3cnc(-c4ccc[nH]4)o3)c[nH]c2cc1Br Homo sapiens CHEMBL4338195 single protein format
CHEMBL384914 OBDepict O N H S IC50 = 615.0 nM 327.41 O=C1NCc2c3c(c4sc5ccccc5c4c21)Cc1ccccc1-3 Homo sapiens CHEMBL911978 assay format
CHEMBL4446434 OBDepict CH 3 O Br N O H N N H IC50 = 900.0 nM 358.2 COc1cc(Br)cc2[nH]cc(-c3cnc(-c4ccc[nH]4)o3)c12 Homo sapiens CHEMBL4338195 single protein format