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Q9NYL2 | M3K20_HUMAN | Mitogen-activated protein kinase kinase kinase 20 (MAP3K20)

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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4524151 OBDepict CH 3 O N N H N N N N F F N H S O O Cl IC50 = 1.9 nM 517.91 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(Cl)c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4542865 OBDepict CH 3 O N N H N N N N F F N H S O O Br IC50 = 2.1 nM 562.36 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(Br)c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4526537 OBDepict CH 3 O S N H O O F N F N N N N O N H H 3 C IC50 = 2.3 nM 513.49 COc1cccc(S(=O)(=O)Nc2ccc(F)c(-n3cc(-c4cnc5[nH]nc(OC)c5c4)nn3)c2F)c1 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4574656 OBDepict CH 3 O N N H N N N N F N H S O O Cl IC50 = 3.0 nM 499.92 COc1n[nH]c2ncc(-c3cn(-c4cccc(NS(=O)(=O)c5cccc(Cl)c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4098896 OBDepict CH 3 O N N H N F F HN S O O N IC50 = 3.3 nM 465.44 COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccc(C#N)c4)c3F)cc12 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4579609 OBDepict N S HN O O F N F N N N N O N H CH 3 IC50 = 3.3 nM 508.47 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(C#N)c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4446003 OBDepict H 3 C O N N H N N N N F F N H S O O IC50 = 3.8 nM 483.46 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5ccccc5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4450810 OBDepict H 3 C O N N H N N N N F F N H S O O IC50 = 4.0 nM 559.56 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(-c6ccccc6)c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4096439 OBDepict CH 3 O N N H N F F HN S O O Cl IC50 = 4.2 nM 474.88 COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccc(Cl)c4)c3F)cc12 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4468296 OBDepict CH 3 O N N H N N N N F F N H S O O IC50 = 4.2 nM 533.52 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc6ccccc56)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4454493 OBDepict CH 3 O N N H N N N N F F N H S O O H 3 C IC50 = 4.4 nM 497.49 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(C)c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4448690 OBDepict H 3 C O N N H N N N N F F N H S O O IC50 = 4.5 nM 533.52 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5ccc6ccccc6c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4080860 OBDepict CH 3 O N N H N F F HN S O O Br IC50 = 5.0 nM 519.33 COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccc(Br)c4)c3F)cc12 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4104859 OBDepict CH 3 O N N H N F F HN S O O Cl IC50 = 5.1 nM 474.88 COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4ccccc4Cl)c3F)cc12 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4091071 OBDepict Cl S N H O O F F N N N H IC50 = 5.1 nM 444.85 O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ncc3c2)c1F)c1cccc(Cl)c1 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4457930 OBDepict H 3 C O N N H N N N N F N H S O O Cl IC50 = 5.7 nM 499.92 COc1n[nH]c2ncc(-c3cn(-c4cc(NS(=O)(=O)c5cccc(Cl)c5)ccc4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4449013 OBDepict CH 3 O N N H N N N N F F N H S O O H 3 C CH 3 IC50 = 6.9 nM 525.54 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(C(C)C)c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4079935 OBDepict CH 3 O S N H O O F F N N O N H H 3 C IC50 = 7.5 nM 470.46 COc1cccc(S(=O)(=O)Nc2ccc(F)c(C#Cc3cnc4[nH]nc(OC)c4c3)c2F)c1 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4559022 OBDepict NH 2 N N N N N F F N H S O O Cl IC50 = 8.9 nM 463.86 Nc1ncc(-c2cn(-c3c(F)ccc(NS(=O)(=O)c4cccc(Cl)c4)c3F)nn2)cn1 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4088739 OBDepict CH 3 O N N H N F F HN S O O Cl Cl IC50 = 9.6 nM 509.32 COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)c3F)cc12 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4104171 OBDepict CH 3 O N N H N F F HN S O O H 3 C IC50 = 12.1 nM 454.46 COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)cc12 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4069195 OBDepict H 3 C O N N H N F F N H S O O Cl IC50 = 16.8 nM 474.88 COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4ccc(Cl)cc4)c3F)cc12 Homo sapiens CHEMBL4055562 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 = 19.0 nM 423.48 CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1 Homo sapiens CHEMBL4767042 single protein format
CHEMBL4080626 OBDepict H 3 C O N N H N F F N H S O O IC50 = 19.2 nM 440.43 COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4ccccc4)c3F)cc12 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4060505 OBDepict Cl S N H O O F F N N H IC50 = 22.6 nM 443.86 O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ccc3c2)c1F)c1cccc(Cl)c1 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4476053 OBDepict CH 3 O N N H N N N N N H S O O Cl IC50 = 24.7 nM 481.93 COc1n[nH]c2ncc(-c3cn(-c4cccc(NS(=O)(=O)c5cccc(Cl)c5)c4)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4473008 OBDepict CH 3 O N N H N O N N F F N H S O O Cl IC50 = 29.0 nM 518.89 COc1n[nH]c2ncc(-c3nc(-c4c(F)ccc(NS(=O)(=O)c5cccc(Cl)c5)c4F)no3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL1229517 OBDepict CH 3 S N H O O F F O N H N Cl IC50 = 31.4 nM 489.93 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F Homo sapiens CHEMBL4055562 cell-based format
CHEMBL3577124 OBDepict CH 3 N H N N N H 3 C CH 3 NH F N H O H 3 C CH 3 H 3 C IC50 = 39.0 nM 424.52 CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1 Homo sapiens CHEMBL3578500 cell-based format
CHEMBL4087178 OBDepict H 3 C O H 3 C N N H N F F N H S O O Cl IC50 = 42.7 nM 502.93 CC(C)Oc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccc(Cl)c4)c3F)cc12 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4457468 OBDepict NH 2 N N N N F F N H S O O Cl IC50 = 46.2 nM 462.87 Nc1ccc(-c2cn(-c3c(F)ccc(NS(=O)(=O)c4cccc(Cl)c4)c3F)nn2)cn1 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4532800 OBDepict CH 3 O N N H N N N N F F HN NH O Cl IC50 = 53.0 nM 496.87 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NC(=O)Nc5cccc(Cl)c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4523007 OBDepict H 3 C O N N H N N N N F F N H O Cl IC50 = 54.3 nM 481.85 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NC(=O)c5cccc(Cl)c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4452568 OBDepict CH 3 O N N H N N O N F F N H S O O Cl IC50 = 63.3 nM 518.89 COc1n[nH]c2ncc(-c3nnc(-c4c(F)ccc(NS(=O)(=O)c5cccc(Cl)c5)c4F)o3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4444385 OBDepict CH 3 O N N H N N N N F F HN O Cl IC50 = 85.7 nM 495.88 COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NC(=O)Cc5cccc(Cl)c5)c4F)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4078038 OBDepict Cl S N H O O F F N N O N H IC50 = 143.7 nM 528.97 O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(OC4CCCC4)c3c2)c1F)c1cccc(Cl)c1 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL4517408 OBDepict CH 3 O O CH 3 O H 3 C N CH 3 N HN IC50 = 336.0 nM 419.53 COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)cc(OC)c1OC Homo sapiens CHEMBL4626200 single protein format
CHEMBL4582776 OBDepict CH 3 O N N H N N N N Cl Cl N H S O O Cl IC50 = 413.3 nM 550.82 COc1n[nH]c2ncc(-c3cn(-c4c(Cl)ccc(NS(=O)(=O)c5cccc(Cl)c5)c4Cl)nn3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 457.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261436 single protein format
CHEMBL203619 OBDepict HO N N N N N IC50 = 708.0 nM 359.43 OCCCn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21 Homo sapiens CHEMBL861565 single protein format
CHEMBL4459658 OBDepict CH 3 O N N H N N N H F F N H S O O Cl IC50 = 983.0 nM 516.92 COc1n[nH]c2ncc(-c3ncc(-c4c(F)ccc(NS(=O)(=O)c5cccc(Cl)c5)c4F)[nH]3)cc12 Homo sapiens CHEMBL4355542 cell-based format
CHEMBL4085336 OBDepict Cl S N H O O F F N N H IC50 = 994.1 nM 443.86 O=S(=O)(Nc1ccc(F)c(C#Cc2ccc3[nH]ncc3c2)c1F)c1cccc(Cl)c1 Homo sapiens CHEMBL4055562 cell-based format
CHEMBL103667 OBDepict O HN N H N N CH 3 CH 3 CH 3 O H 3 C N O IC50 < 1000.0 nM 527.67 Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 Homo sapiens CHEMBL4602939 single protein format