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P41279 | M3K8_HUMAN | Mitogen-activated protein kinase kinase kinase 8 (MAP3K8)

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
CHEMBL527026 OBDepict H 3 C N N N N NH Cl N NH N Cl F IC50 = 1.6 nM 539.45 CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL230117 OBDepict N N N H Cl HN Cl F N N N N H IC50 = 2.0 nM 429.25 N#Cc1cnc2c(Cl)cc(NCc3nn[nH]n3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL498071 OBDepict N N HN Cl N H Cl F N N N N IC50 = 2.0 nM 519.37 N#Cc1cnc2c(Cl)cc(NCc3cn(Cc4ccccn4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL498029 OBDepict N N HN Cl N H Cl F N N N N H 3 C IC50 = 2.2 nM 525.42 CN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL219682 OBDepict N N NH NH Cl F N CH 3 N CH 3 IC50 = 3.0 nM 420.88 Cc1c(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)ncn1C Homo sapiens CHEMBL855706 single protein format
CHEMBL221221 OBDepict N N NH NH Cl F N CH 3 N H IC50 = 3.0 nM 406.85 Cc1[nH]cnc1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL482863 OBDepict N N NH Cl N H Cl F N N N N IC50 = 3.0 nM 505.34 N#Cc1cnc2c(Cl)cc(NCc3cn(-c4ccncc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL498070 OBDepict N N HN Cl N H Cl F N N N N IC50 = 4.0 nM 519.37 N#Cc1cnc2c(Cl)cc(NCc3cn(Cc4ccncc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL3912476 OBDepict H N H H 3 C N N O N N N N N IC50 = 4.0 nM 516.61 C[C@H](CN1CCOCC1)Nc1ccc2cc(-n3cnc4cnc5cnc(-c6ccncc6)cc5c43)ccc2n1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL498028 OBDepict N N NH Cl N H Cl F N N N NH IC50 = 5.3 nM 511.39 N#Cc1cnc2c(Cl)cc(NCc3cn(C4CCNCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL3939592 OBDepict CH 3 N H N N O N N N N N IC50 = 6.0 nM 516.61 CC(CN1CCOCC1)Nc1ccc2cc(-n3cnc4cnc5cnc(-c6ccncc6)cc5c43)ccc2n1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL495867 OBDepict N N N H Br NH Cl F N N N O HO IC50 = 7.0 nM 530.75 N#Cc1cnc2c(Br)cc(NCc3cn(CC(=O)O)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL498072 OBDepict N N NH Cl N H Cl F N N N N IC50 = 7.6 nM 505.34 N#Cc1cnc2c(Cl)cc(NCc3cn(-c4cccnc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL496595 OBDepict N N N H Cl HN Cl F N N N N O IC50 = 8.0 nM 541.42 N#Cc1cnc2c(Cl)cc(NCc3cn(CCN4CCOCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL495617 OBDepict H 3 C N N N N HN Cl N HN N Cl F IC50 = 8.2 nM 553.47 CCCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL3927501 OBDepict CH 3 N H N N S O N N N N IC50 = 9.0 nM 521.65 CC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4cnc5cnc(-c6ccccc6)cc5c43)cc2s1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL3890505 OBDepict CH 3 N H N N S O N N N N N IC50 = 9.0 nM 522.64 CC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4cnc5cnc(-c6ccncc6)cc5c43)cc2s1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL523059 OBDepict N N NH Cl N H Cl F N N N N CH 3 CH 3 IC50 = 9.1 nM 553.47 CC(C)N1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL495584 OBDepict N N N H Cl NH Cl F N N N O HO IC50 = 9.6 nM 486.29 N#Cc1cnc2c(Cl)cc(NCc3cn(CC(=O)O)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL491228 OBDepict H N N N N S N O O NH 2 IC50 = 10.0 nM 414.45 NC(=O)c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1 Homo sapiens CHEMBL1005354 single protein format
CHEMBL501709 OBDepict N N N H Cl HN Cl F N N N N IC50 = 10.0 nM 565.48 N#Cc1cnc2c(Cl)cc(NCc3cn(C4CCN(C5CCC5)CC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL498222 OBDepict N N HN Cl N H Cl F N N N N IC50 = 10.0 nM 519.37 N#Cc1cnc2c(Cl)cc(NCc3cn(Cc4cccnc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL241988 OBDepict N N N H Br HN Cl F N N H IC50 = 10.0 nM 471.72 N#Cc1cnc2c(Br)cc(NCc3c[nH]cn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL483685 OBDepict N N NH Cl N H Cl F N N N N H 3 C CH 3 IC50 = 13.0 nM 499.38 CN(C)CCn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL219628 OBDepict N N NH N H Cl F N CH 3 N N O IC50 = 14.0 nM 520.01 Cc1c(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)ncn1CCN1CCOCC1 Homo sapiens CHEMBL855706 single protein format
CHEMBL242852 OBDepict N N NH Cl NH Cl F N IC50 = 16.0 nM 438.29 N#Cc1cnc2c(Cl)cc(NCc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL3899461 OBDepict O N N H N S N N N N IC50 = 16.0 nM 507.62 c1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc(NCCN6CCOCC6)sc5c4)c23)cc1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL397986 OBDepict N N NH Cl NH Cl F N N CH 3 H IC50 = 16.0 nM 455.32 CCc1[nH]cnc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL230554 OBDepict N N NH Cl N H Cl F N N CH 3 H 3 C H IC50 = 16.0 nM 469.35 CC(C)c1[nH]cnc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL199230 OBDepict N N NH N NH Cl F H 3 C H IC50 = 16.0 nM 417.88 C[C@@H](Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cn1)c1ccccc1 Homo sapiens CHEMBL966653 single protein format
CHEMBL482864 OBDepict H 2 N N N N NH Cl N NH N Cl F IC50 = 17.0 nM 471.33 N#Cc1cnc2c(Cl)cc(NCc3cn(CCN)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL499853 OBDepict CH 3 N N N N NH Cl N NH N Cl F IC50 = 18.0 nM 567.5 CCN1CCC(CCn2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL395573 OBDepict N N HN Cl HN Cl F + N _ O IC50 = 18.0 nM 454.29 N#Cc1cnc2c(Cl)cc(NCc3cccc[n+]3[O-])cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL230232 OBDepict N N N H Br HN Cl F N N N H IC50 = 18.0 nM 472.71 N#Cc1cnc2c(Br)cc(NCc3c[nH]nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL220037 OBDepict N N N H NH Cl F N N H IC50 = 19.0 nM 392.82 N#Cc1cnc2ccc(NCc3c[nH]cn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL524638 OBDepict N N HN Br N H Cl F N N N N IC50 = 20.0 nM 563.82 N#Cc1cnc2c(Br)cc(NCc3cn(Cc4cccnc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL483484 OBDepict NH 2 N N N HN Cl N HN N Cl F IC50 = 20.0 nM 485.35 N#Cc1cnc2c(Cl)cc(NCc3cn(CCCN)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL245212 OBDepict N N N H F HN Cl F N N H IC50 = 20.0 nM 410.81 N#Cc1cnc2c(F)cc(NCc3c[nH]cn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL425834 OBDepict N N NH Br N H Cl F N N N N H 3 C CH 3 IC50 = 20.0 nM 557.86 CN(C)CCCn1cc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 Homo sapiens CHEMBL896193 single protein format
CHEMBL242206 OBDepict N N N H + S HN CH 3 _ O Cl F N N H IC50 = 20.0 nM 454.92 C[S+]([O-])c1cc(NCc2c[nH]cn2)cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc12 Homo sapiens CHEMBL896193 single protein format
CHEMBL476442 OBDepict HO O S NH 2 N IC50 = 20.0 nM 346.41 Nc1ncc(-c2cccc(-c3ccccc3)c2)c2cc(C(=O)O)sc12 Homo sapiens CHEMBL965850 single protein format
CHEMBL436817 OBDepict N N N H Cl HN Cl F N N H IC50 = 20.0 nM 427.27 N#Cc1cnc2c(Cl)cc(NCc3cnc[nH]3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL3910848 OBDepict S N N N N N IC50 = 20.0 nM 379.45 c1cnc2ccc(-n3cnc4cnc5cnc(-c6ccsc6)cc5c43)cc2c1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL524069 OBDepict N N NH Cl N H Cl F N N N N CH 3 IC50 = 22.0 nM 539.45 CN1CCCC1CCn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL497228 OBDepict N N N H Cl HN Cl F N N N N IC50 = 22.0 nM 539.45 N#Cc1cnc2c(Cl)cc(NCc3cn(CCN4CCCCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL3918552 OBDepict CH 3 N H N N S O N N N N S IC50 = 22.0 nM 527.68 CC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4cnc5cnc(-c6cccs6)cc5c43)cc2s1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL497883 OBDepict N N NH Br N H Cl F N N N NH IC50 = 23.0 nM 569.87 N#Cc1cnc2c(Br)cc(NCc3cn(CCC4CCCN4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL397949 OBDepict N N N H HN O CH 3 Cl F N N H IC50 = 23.0 nM 434.86 CC(=O)c1cc(NCc2c[nH]cn2)cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc12 Homo sapiens CHEMBL896193 single protein format
CHEMBL230654 OBDepict H 3 C N N H HN Cl N HN N Cl F IC50 = 25.0 nM 469.35 CCCc1[nH]cnc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL496594 OBDepict N N N H Cl HN Cl F N N N N IC50 = 28.0 nM 553.47 N#Cc1cnc2c(Cl)cc(NCc3cn(CCN4CCCCCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL230761 OBDepict N N NH Br NH Cl F N N CH 3 IC50 = 30.0 nM 485.75 Cn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL221269 OBDepict N N N H NH Cl F N S IC50 = 31.0 nM 409.88 N#Cc1cnc2ccc(NCc3nccs3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL3944315 OBDepict H N H H 3 C N N O N N N N N IC50 = 38.0 nM 516.61 C[C@@H](CN1CCOCC1)Nc1ccc2cc(-n3cnc4cnc5cnc(-c6ccncc6)cc5c43)ccc2n1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL496388 OBDepict N N N H Cl HN Cl F N N N H IC50 = 40.0 nM 428.26 N#Cc1cnc2c(Cl)cc(NCc3c[nH]nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL491029 OBDepict OH O N S N N N N H IC50 = 40.0 nM 401.45 OCc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1 Homo sapiens CHEMBL1005354 single protein format
CHEMBL3980906 OBDepict H N N N N N N S IC50 = 40.0 nM 368.43 c1nc2ccc(-n3cnc4cnc5cnc(-c6ccsc6)cc5c43)cc2[nH]1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL495585 OBDepict N N NH Cl N H Cl F N N N NH IC50 = 40.0 nM 525.42 N#Cc1cnc2c(Cl)cc(NCc3cn(CCC4CCCN4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL230870 OBDepict N N N H Br HN Cl F N N N O IC50 = 41.0 nM 584.88 N#Cc1cnc2c(Br)cc(NCc3cn(CCN4CCOCC4)cn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL230871 OBDepict N N N H Br N H Cl F N N S O O CH 3 IC50 = 43.0 nM 577.87 CS(=O)(=O)CCn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL1808589 OBDepict OH N H N CH 3 N N H N N H IC50 = 47.0 nM 398.47 Cc1c(CNCCO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1 Homo sapiens CHEMBL1810741 single protein format
CHEMBL489812 OBDepict H N N N N S N O N O CH 3 H 3 C IC50 = 50.0 nM 442.5 CN(C)C(=O)c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1 Homo sapiens CHEMBL1005354 single protein format
CHEMBL476230 OBDepict OH O S N IC50 = 50.0 nM 331.4 O=C(O)c1cc2c(-c3cccc(-c4ccccc4)c3)cncc2s1 Homo sapiens CHEMBL965850 single protein format
CHEMBL3937721 OBDepict N N N N N S IC50 = 50.0 nM 367.44 N#CCc1ccc(-n2cnc3cnc4cnc(-c5ccsc5)cc4c32)cc1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL261238 OBDepict N N NH N N Cl CH 3 F N IC50 = 50.0 nM 404.84 CN(c1cccnc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cn1 Homo sapiens CHEMBL920952 single protein format
CHEMBL404939 OBDepict O N O O Cl O IC50 = 50.0 nM 289.67 O=C1C(Cl)=C(N2C(=O)CCC2=O)C(=O)c2ccccc21 Homo sapiens CHEMBL920952 single protein format
CHEMBL221005 OBDepict N N N H NH Cl F CH 3 N IC50 = 60.0 nM 417.88 CC(Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1)c1ccccn1 Homo sapiens CHEMBL855706 single protein format
CHEMBL495866 OBDepict N N NH Br N H Cl F N N N CH 3 H 3 C CH 3 IC50 = 61.0 nM 528.82 CC(C)(C)n1cc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL220233 OBDepict N N N H NH Cl F N N H IC50 = 74.0 nM 392.83 N#Cc1cnc2ccc(NCc3cc[nH]n3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL3936462 OBDepict CH 3 N S N N N N IC50 = 80.0 nM 393.48 Cc1nc2ccc(-n3cnc4cnc5cnc(-c6ccccc6)cc5c43)cc2s1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL514360 OBDepict H N N N N S N IC50 = 80.0 nM 355.43 c1ccc(-c2cccc(-c3cncc4sc(-c5nnn[nH]5)cc34)c2)cc1 Homo sapiens CHEMBL965850 single protein format
CHEMBL230655 OBDepict H 3 C O O N N H HN Br N HN N Cl F IC50 = 87.0 nM 529.76 COC(=O)c1[nH]cnc1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL3919207 OBDepict H N N N N N N IC50 = 90.0 nM 362.4 c1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)cc1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL524274 OBDepict Cl O N S N N N N H IC50 = 90.0 nM 405.87 Clc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1 Homo sapiens CHEMBL1005354 single protein format
CHEMBL374482 OBDepict N N NH NH Cl F N IC50 = 90.0 nM 403.85 N#Cc1cnc2ccc(NCc3ccccn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL3908516 OBDepict N N N N N IC50 = 96.0 nM 373.42 c1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5ncccc5c4)c23)cc1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL428714 OBDepict N N NH Br NH Cl F N CH 3 N IC50 = 98.0 nM 485.75 Cn1nccc1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL221274 OBDepict N HN N HN N Cl F IC50 = 100.0 nM 427.87 N#Cc1cccc(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL3966844 OBDepict H N N N N N N N IC50 = 100.0 nM 363.38 c1cc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)ccn1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL1808572 OBDepict CH 3 NH N H 3 C N N H N N H IC50 = 109.0 nM 382.47 CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C Homo sapiens CHEMBL1810741 single protein format
CHEMBL222666 OBDepict N N HN HN Cl F + N _ O IC50 = 110.0 nM 419.85 N#Cc1cnc2ccc(NCc3cccc[n+]3[O-])cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL223011 OBDepict N N HN N H Cl F S O O NH 2 IC50 = 110.0 nM 481.94 N#Cc1cnc2ccc(NCc3ccc(S(N)(=O)=O)cc3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL230230 OBDepict N N HN Cl N H Cl F NH O N IC50 = 110.0 nM 481.32 N#Cc1cnc2c(Cl)cc(NCC(=O)Nc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL496591 OBDepict N N NH Cl N H Cl F N N N IC50 = 120.0 nM 504.36 N#Cc1cnc2c(Cl)cc(NCc3cn(-c4ccccc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL522129 OBDepict Cl O N S N N N N H IC50 = 120.0 nM 405.87 Clc1cccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)c1 Homo sapiens CHEMBL1005354 single protein format
CHEMBL496752 OBDepict CH 3 O O N S N N N N H IC50 = 130.0 nM 401.45 COc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1 Homo sapiens CHEMBL1005354 single protein format
CHEMBL242427 OBDepict N N HN Cl N H Cl F N N H IC50 = 130.0 nM 441.3 N#Cc1cnc2c(Cl)cc(NCCc3c[nH]cn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL230553 OBDepict N N NH Br N H Cl F N N CH 3 H 3 C H IC50 = 130.0 nM 513.8 CC(C)c1[nH]cnc1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL376501 OBDepict N N NH N NH Cl F N IC50 = 130.0 nM 404.84 N#Cc1cnc2cnc(NCc3ccccn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL242208 OBDepict N N N H NH N O Cl CH 3 H 3 C F N N H IC50 = 130.0 nM 463.9 CN(C)C(=O)c1cc(NCc2c[nH]cn2)cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc12 Homo sapiens CHEMBL896193 single protein format
CHEMBL230656 OBDepict N N NH Cl N H Cl F N N H N CH 3 CH 3 IC50 = 130.0 nM 512.42 CN(C)CCCc1[nH]cnc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL896193 single protein format
CHEMBL241990 OBDepict CH 3 O N N H HN N N N H Cl F IC50 = 130.0 nM 422.85 COc1cc(NCc2c[nH]cn2)cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc12 Homo sapiens CHEMBL896193 single protein format
CHEMBL200247 OBDepict N N HN N HN Cl F IC50 = 140.0 nM 403.85 N#Cc1cnc2cnc(NCc3ccccc3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL505892 OBDepict HO O S N N H IC50 = 140.0 nM 346.41 O=C(O)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1 Homo sapiens CHEMBL965850 single protein format
CHEMBL526840 OBDepict N N HN Cl N H Cl F N N N IC50 = 140.0 nM 518.38 N#Cc1cnc2c(Cl)cc(NCc3cn(Cc4ccccc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1000656 single protein format
CHEMBL222954 OBDepict N N HN HN Cl F NH 2 IC50 = 140.0 nM 417.88 N#Cc1cnc2ccc(NCc3cccc(N)c3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL855706 single protein format
CHEMBL3928098 OBDepict H N N N N N N N N H IC50 = 150.0 nM 352.36 c1nc2ccc(-n3cnc4cnc5cnc(-c6cn[nH]c6)cc5c43)cc2[nH]1 Homo sapiens CHEMBL3854930 cell-based format
CHEMBL491434 OBDepict H N N N N S N O Cl IC50 = 150.0 nM 405.87 Clc1ccccc1-c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1 Homo sapiens CHEMBL1005354 single protein format
CHEMBL496536 OBDepict H N N N N S N O IC50 = 150.0 nM 371.43 c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1 Homo sapiens CHEMBL1005354 single protein format
CHEMBL445178 OBDepict NH 2 O S NH 2 N IC50 = 160.0 nM 345.43 NC(=O)c1cc2c(-c3cccc(-c4ccccc4)c3)cnc(N)c2s1 Homo sapiens CHEMBL965850 single protein format
CHEMBL241989 OBDepict N N N H NH F F F Cl F N N H IC50 = 160.0 nM 460.82 N#Cc1cnc2c(C(F)(F)F)cc(NCc3c[nH]cn3)cc2c1Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL896193 single protein format