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Q16584 | M3K11_HUMAN | Mitogen-activated protein kinase kinase kinase 11 (MAP3K11)

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
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -3900.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804431 cell-based format
CHEMBL2436980 OBDepict CH 3 O O CH 3 O CH 3 N N H N H IC50 = 3.0 nM 399.45 COc1cc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cc(OC)c1OC Homo sapiens CHEMBL2437703 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 4.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328504 single protein format
CHEMBL4218417 OBDepict OH N N H O N H O H 3 C CH 3 IC50 = 7.0 nM 427.5 CC(C)OCc1ccc2c(c1)c1c3c(c4c5ccccc5[nH]c4c1n2CCO)CNC3=O Homo sapiens CHEMBL4199317 assay format
CHEMBL2436982 OBDepict CH 3 O O CH 3 O CH 3 N N H N H 2 N IC50 = 7.0 nM 376.42 COc1cc(-c2cnc3[nH]cc(-c4ccc(N)nc4)c3c2)cc(OC)c1OC Homo sapiens CHEMBL2437703 single protein format
CHEMBL2436976 OBDepict CH 3 O O CH 3 O CH 3 N N H N N H 2 N IC50 = 9.0 nM 377.4 COc1cc(-c2cnc3[nH]cc(-c4cnc(N)nc4)c3c2)cc(OC)c1OC Homo sapiens CHEMBL2437703 single protein format
CHEMBL289772 OBDepict HO N H O O N H N CH 3 OH O O CH 3 OH IC50 = 11.0 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 CHEMBL732491 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 = 11.0 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 CHEMBL732491 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 = 11.0 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 CHEMBL732491 single protein format
CHEMBL386636 OBDepict O N H O N H IC50 = 12.0 nM 338.37 O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCc2ccccc2-1 Homo sapiens CHEMBL911979 assay format
CHEMBL416056 OBDepict CH 3 O O HO CH 3 O N H N N H O IC50 = 13.0 nM 467.48 COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL911979 assay format
CHEMBL2436978 OBDepict CH 3 N N N N H N H IC50 = 14.0 nM 421.55 CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1 Homo sapiens CHEMBL2437703 single protein format
CHEMBL2436981 OBDepict NH 2 N N N H N H IC50 = 19.0 nM 325.38 Nc1ccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cn1 Homo sapiens CHEMBL2437703 single protein format
CHEMBL2436977 OBDepict CH 3 N N N N H N N H IC50 = 21.0 nM 422.54 CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cnc6[nH]ccc6c5)c4c3)cc2)CC1 Homo sapiens CHEMBL2437703 single protein format
CHEMBL288229 OBDepict CH 3 S N CH 3 O N H N HO O H O O CH 3 IC50 = 21.0 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 CHEMBL732491 single protein format
CHEMBL374581 OBDepict O N H N H IC50 = 22.0 nM 324.38 O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)CCc1ccccc1-3 Homo sapiens CHEMBL911979 assay format
CHEMBL221536 OBDepict O N H S N H IC50 = 26.0 nM 328.4 O=C1NCc2c1c1c3ccccc3sc1c1[nH]c3ccccc3c21 Homo sapiens CHEMBL911979 assay format
CHEMBL357490 OBDepict O N H N H IC50 = 40.0 nM 310.36 O=C1NCc2c1c1c(c3[nH]c4ccccc4c23)Cc2ccccc2-1 Homo sapiens CHEMBL911979 assay format
CHEMBL2436979 OBDepict CH 3 O O CH 3 O N CH 3 N N N H O N H IC50 = 40.0 nM 417.43 COc1cc(-c2cnc3[nH]c(=O)n(-c4ccc5[nH]ccc5c4)c3n2)cc(OC)c1OC Homo sapiens CHEMBL2437703 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 = 44.0 nM 541.63 CCSCc1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O Homo sapiens CHEMBL732491 single protein format
CHEMBL16958 OBDepict H N N H N H O IC50 = 49.0 nM 311.34 O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Homo sapiens CHEMBL911979 assay format
CHEMBL1835063 OBDepict NH 2 O N NH N N H H 2 N F F F IC50 = 52.0 nM 380.37 NC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4629883 single protein format
CHEMBL460989 OBDepict HO N N H O O CH 3 IC50 = 55.0 nM 398.46 COc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCO)c13)CNC2=O Homo sapiens CHEMBL1003946 single protein format
CHEMBL126545 OBDepict H N S O N H O IC50 = 58.0 nM 342.38 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 Homo sapiens CHEMBL911979 assay format
CHEMBL460990 OBDepict OH N N H O O H 3 C H 3 C IC50 = 65.0 nM 426.52 CC(C)Oc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCO)c13)CNC2=O Homo sapiens CHEMBL1003946 single protein format
CHEMBL2436983 OBDepict NH 2 N N N N H N H IC50 = 78.0 nM 326.36 Nc1ncc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cn1 Homo sapiens CHEMBL2437703 single protein format
CHEMBL517117 OBDepict HO N N H O O CH 3 IC50 = 87.0 nM 412.49 COc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCCO)c13)CNC2=O Homo sapiens CHEMBL1003946 single protein format
CHEMBL148471 OBDepict O N H N H IC50 = 87.0 nM 310.36 O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)Cc1ccccc1-3 Homo sapiens CHEMBL911979 assay format
CHEMBL384914 OBDepict O N H S IC50 = 110.0 nM 327.41 O=C1NCc2c3c(c4sc5ccccc5c4c21)Cc1ccccc1-3 Homo sapiens CHEMBL911979 assay format
CHEMBL220497 OBDepict O N H S IC50 = 157.0 nM 327.41 O=C1NCc2c1c1c(c3sc4ccccc4c23)Cc2ccccc2-1 Homo sapiens CHEMBL911979 assay format
CHEMBL492258 OBDepict H 3 C O H 3 C O N H N H IC50 = 159.0 nM 382.46 CC(C)Oc1ccc2c(c1)CCc1c-2c2c(c3c1[nH]c1ccccc13)CNC2=O Homo sapiens CHEMBL1003946 single protein format
CHEMBL220799 OBDepict O N H N S H IC50 = 171.0 nM 328.4 O=C1NCc2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 Homo sapiens CHEMBL911979 assay format
CHEMBL426719 OBDepict O N H N O H IC50 = 270.0 nM 312.33 O=C1NCc2c1c1c3ccccc3[nH]c1c1oc3ccccc3c21 Homo sapiens CHEMBL911979 assay format
CHEMBL492257 OBDepict H 3 C O O N H N H IC50 = 274.0 nM 354.41 COc1ccc2c(c1)CCc1c-2c2c(c3c1[nH]c1ccccc13)CNC2=O Homo sapiens CHEMBL1003946 single protein format
CHEMBL375220 OBDepict O N H IC50 = 277.0 nM 309.37 O=C1NCc2c1c1c(c3c2-c2ccccc2C3)Cc2ccccc2-1 Homo sapiens CHEMBL911979 assay format
CHEMBL332575 OBDepict O N H O N H IC50 = 300.0 nM 336.35 O=C1NC(=O)c2c1c1c3ccccc3ccc1c1[nH]c3ccccc3c21 Homo sapiens CHEMBL911979 assay format
CHEMBL4786783 OBDepict CH N N N H N N H O NH 2 IC50 = 320.0 nM 292.3 C#Cc1nc(Nc2cccc(CC(N)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700133 single protein format
CHEMBL4446434 OBDepict CH 3 O Br N O H N N H IC50 = 500.0 nM 358.2 COc1cc(Br)cc2[nH]cc(-c3cnc(-c4ccc[nH]4)o3)c12 Homo sapiens CHEMBL4338196 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 CHEMBL4338196 single protein format
CHEMBL3393333 OBDepict N N N H N N N F F O IC50 = 602.0 nM 440.5 N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)c1 Homo sapiens CHEMBL3395597 single protein format
CHEMBL375085 OBDepict O N H N H IC50 = 724.0 nM 324.38 O=C1NCc2c1c1c(c3[nH]c4ccccc4c23)CCc2ccccc2-1 Homo sapiens CHEMBL911979 assay format
CHEMBL510795 OBDepict OH N N H O IC50 = 1000.0 nM 368.44 O=C1NCc2c1c1c(c3c2c2ccccc2n3CCO)CCc2ccccc2-1 Homo sapiens CHEMBL1003946 single protein format