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Q9BUB5 | MKNK1_HUMAN | MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4879010 OBDepict N N H N N N N O NH IC50 = 0.15 nM 435.49 N#Cc1ccc(Nc2ncnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nc23)cc1 Homo sapiens CHEMBL4828251 single protein format
CHEMBL4073743 OBDepict O HN N N N H O N Cl NH O IC50 = 0.51 nM 428.88 O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4076439 OBDepict NH 2 N N N H O N Cl HN O IC50 = 0.65 nM 360.81 Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCCC2)NC3=O)ncn1 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4094975 OBDepict NH 2 N N N H O N Cl HN O IC50 = 0.88 nM 346.78 Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC2)NC3=O)ncn1 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL3355002 OBDepict CH 3 O H 3 C HN N H N N N N H NH O S O O CH 3 IC50 = 1.0 nM 525.64 CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CC(C(=O)NCCCS(C)(=O)=O)CC3 Homo sapiens CHEMBL3377245 single protein format
CHEMBL4859971 OBDepict CH 3 O F N H N N N N O HN IC50 = 1.0 nM 458.5 COc1cc(Nc2ncnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nc23)ccc1F Homo sapiens CHEMBL4828251 single protein format
CHEMBL3355000 OBDepict H 3 C O NH N H N N N N H NH O IC50 = 1.0 nM 467.53 COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CC(C(=O)NCc1ccccc1)CC3 Homo sapiens CHEMBL3377245 single protein format
CHEMBL4869634 OBDepict CH 3 O CH 3 NH F N N N N O N H IC50 = 1.0 nM 486.55 CC(C)Oc1cc(F)ccc1Nc1ncnc2ccc(-c3ccc(C(=O)N4CCNCC4)cc3)nc12 Homo sapiens CHEMBL4828251 single protein format
CHEMBL4876307 OBDepict F HN N N N N O NH IC50 = 1.1 nM 428.47 O=C(c1ccc(-c2ccc3ncnc(Nc4ccc(F)cc4)c3n2)cc1)N1CCNCC1 Homo sapiens CHEMBL4828251 single protein format
CHEMBL4857156 OBDepict CH 3 O NH F N N N N O N H IC50 = 1.2 nM 458.5 COc1cc(F)ccc1Nc1ncnc2ccc(-c3ccc(C(=O)N4CCNCC4)cc3)nc12 Homo sapiens CHEMBL4828251 single protein format
CHEMBL4065802 OBDepict NH 2 N N N H O N CH 3 HN O F F IC50 = 1.4 nM 376.37 Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL3797873 OBDepict H 3 C N CH 3 O N N H 2 N N N H 3 C N N H H H 3 C IC50 = 1.5 nM 470.58 C[C@H]1CN(c2cccc3nc(-c4nc(-c5cccc(C(=O)N(C)C)c5)cnc4N)n(C)c23)CCN1 Homo sapiens CHEMBL3803163 single protein format
CHEMBL4094080 OBDepict H NH 2 H O N N N N IC50 = 1.5 nM 331.38 N[C@H]1C[C@H](Oc2ccc3ncc(-c4ccc5cnccc5c4)n3n2)C1 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4064839 OBDepict O N H N N HN O N Cl H 3 C NH O Cl IC50 = 1.6 nM 485.33 CC1(c2cccc(Cl)c2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4100554 OBDepict O HN N N N H NH O IC50 = 1.9 nM 309.33 O=C1NCc2cc(Nc3cc(NC(=O)C4CC4)ncn3)ccc21 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4439094 OBDepict O HN N Cl O N H N N Ki = 2.0 nM 345.79 O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O Homo sapiens CHEMBL4350375 single protein format
CHEMBL3798762 OBDepict CH 3 N CH 3 O N N H 2 N N N CH 3 N N H IC50 = 2.0 nM 456.55 CN(C)C(=O)c1cccc(-c2cnc(N)c(-c3nc4cccc(N5CCNCC5)c4n3C)n2)c1 Homo sapiens CHEMBL3803163 single protein format
CHEMBL4298140 OBDepict NH 2 N N N H O N CH 3 HN O ClH IC50 = 2.0 nM 376.85 Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1.Cl Homo sapiens CHEMBL4331736 cell-based format
CHEMBL3904937 OBDepict H 3 C O O N N N O + S CH 3 _ O IC50 = 2.0 nM 385.45 COc1cccc2oc(-c3cnc4ccc(OCCC[S+](C)[O-])nn34)cc12 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3930574 OBDepict CH 3 O O N N N O S O HN CH 3 IC50 = 2.0 nM 400.46 COc1cccc2oc(-c3cnc4ccc(OCCCS(C)(=N)=O)nn34)cc12 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3940077 OBDepict CH 3 O O N N N O S O O CH 3 IC50 = 2.0 nM 401.44 COc1cccc2oc(-c3cnc4ccc(OCCCS(C)(=O)=O)nn34)cc12 Homo sapiens CHEMBL3888325 single protein format
CHEMBL4067557 OBDepict NH 2 N N N H O N Cl H 3 C CH 3 NH O IC50 = 2.2 nM 320.74 CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n21 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4878199 OBDepict O N H H 2 N N N N N IC50 = 2.3 nM 448.53 N[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4n3)cc2)C1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL4073443 OBDepict NH 2 N N N H O N CH 3 HN O IC50 = 2.4 nM 340.39 Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4858035 OBDepict O N N N N N IC50 = 2.4 nM 515.66 O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL4857770 OBDepict O N H H 2 N N N N IC50 = 2.5 nM 447.54 N[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4c3)cc2)C1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL4086319 OBDepict O N H N N HN O N H 3 C CH 3 NH O IC50 = 2.7 nM 354.37 CC1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL3800585 OBDepict H 3 C N CH 3 O N N N H 2 N N N H 3 C N N H H H 3 C IC50 = 3.0 nM 471.57 C[C@H]1CN(c2cccc3nc(-c4nc(-c5cc(C(=O)N(C)C)ccn5)cnc4N)n(C)c23)CCN1 Homo sapiens CHEMBL3803163 single protein format
CHEMBL4084102 OBDepict O NH N H 3 C CH 3 Cl O N H N N IC50 = 3.3 nM 305.73 CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4439094 OBDepict O HN N Cl O N H N N IC50 = 3.5 nM 345.79 O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O Homo sapiens CHEMBL4350431 single protein format
CHEMBL3925147 OBDepict H 3 C S O NH O N N N O IC50 = 4.0 nM 370.43 CS(=N)(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3932933 OBDepict _ O + S H 3 C O N N N O IC50 = 4.0 nM 355.42 C[S+]([O-])CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL4864827 OBDepict O N N N O N N IC50 = 4.0 nM 517.63 O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCC(N2CCOCC2)CC1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL3797828 OBDepict CH 3 N CH 3 O N H 2 N N N H N N H IC50 = 4.0 nM 441.54 CN(C)C(=O)c1cccc(-c2cnc(N)c(-c3nc4cccc(N5CCNCC5)c4[nH]3)c2)c1 Homo sapiens CHEMBL3803163 single protein format
CHEMBL4073443 OBDepict NH 2 N N N H O N CH 3 HN O Ki = 5.0 nM 340.39 Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Homo sapiens CHEMBL4350375 single protein format
CHEMBL3910498 OBDepict _ O + S H 3 C O N N N O IC50 = 5.0 nM 369.45 C[S+]([O-])CCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3354998 OBDepict H 3 C O CH 3 HN N H N N N N H IC50 = 5.0 nM 362.44 CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CCCC3 Homo sapiens CHEMBL3377245 single protein format
CHEMBL3913844 OBDepict CH 3 O O N N N O S O O CH 3 IC50 = 5.0 nM 401.44 COc1ccc2oc(-c3cnc4ccc(OCCCS(C)(=O)=O)nn34)cc2c1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3983678 OBDepict H 3 C S O O O N N N O IC50 = 5.0 nM 371.42 CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3354999 OBDepict CH 3 N H O N H N N H N O CH 3 N N H IC50 = 6.0 nM 405.46 CCNC(=O)C1CCc2[nH]c3ncnc(Nc4cc5cn[nH]c5cc4OC)c3c2C1 Homo sapiens CHEMBL3377245 single protein format
CHEMBL3354997 OBDepict H 3 C O NH Cl Cl N N N H N H O IC50 = 6.0 nM 446.34 COc1cc(Cl)c(Cl)cc1Nc1ncnc2[nH]c3c(c12)CC(C(=O)NC1CC1)CC3 Homo sapiens CHEMBL3377245 single protein format
CHEMBL4091862 OBDepict O NH N H 3 C CH 3 F O N H N N IC50 = 6.5 nM 289.27 CC1(C)NC(=O)c2c(F)cc(Nc3ccncn3)c(=O)n21 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4757546 OBDepict CH 3 N H 3 C N N N N N H O N CH 3 N H O IC50 = 7.0 nM 494.64 Cc1cc(Nc2cc(N3CCN(CCCN(C)C)CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Homo sapiens CHEMBL4666433 assay format
CHEMBL3908576 OBDepict F O N N N O S O O CH 3 IC50 = 7.0 nM 389.41 CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cc(F)ccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3971422 OBDepict N N S O CH 3 O N N N O IC50 = 7.0 nM 395.44 CS(=O)(CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC#N Homo sapiens CHEMBL3888325 single protein format
CHEMBL4869957 OBDepict O N O N N N IC50 = 7.0 nM 434.5 O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCOCC1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL4852274 OBDepict O N H H 2 N N N N IC50 = 7.7 nM 447.54 N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4c3)cc2)C1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL3977764 OBDepict CH 3 S O NH O N N N O IC50 = 8.0 nM 384.46 CS(=N)(=O)CCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL4861251 OBDepict OH HN N N N N O NH IC50 = 8.5 nM 426.48 O=C(c1ccc(-c2ccc3ncnc(Nc4ccc(O)cc4)c3n2)cc1)N1CCNCC1 Homo sapiens CHEMBL4828251 single protein format
CHEMBL4796087 OBDepict H 3 C N CH 3 N N N N N H O N H 3 C N H O IC50 = 8.7 nM 480.62 Cc1cc(Nc2cc(N3CCN(CCN(C)C)CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Homo sapiens CHEMBL4666433 assay format
CHEMBL4216109 OBDepict N N N N N O N H 3 C CH 3 IC50 = 9.0 nM 450.55 CN(C)C1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4n3)cc2)CC1 Homo sapiens CHEMBL4189496 assay format
CHEMBL3941832 OBDepict N N S O CH 3 O N N N O O N CH 3 IC50 = 9.0 nM 426.46 COc1nccc2oc(-c3cnc4ccc(OCCCS(C)(=O)=NC#N)nn34)cc12 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3979535 OBDepict CH 3 O N O N N N O S O HN CH 3 IC50 = 9.0 nM 401.45 COc1nccc2oc(-c3cnc4ccc(OCCCS(C)(=N)=O)nn34)cc12 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3902586 OBDepict H 3 C O O N N N O S N O CH 3 O F F F IC50 = 9.0 nM 496.47 COc1cccc2oc(-c3cnc4ccc(OCCCS(C)(=O)=NC(=O)C(F)(F)F)nn34)cc12 Homo sapiens CHEMBL3888325 single protein format
CHEMBL4865340 OBDepict O N N H N N N IC50 = 9.4 nM 433.52 O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCNCC1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL4862069 OBDepict O N H H 2 N N N N N IC50 = 9.4 nM 448.53 N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4n3)cc2)C1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL3941910 OBDepict _ O + S H 3 C O N N N O IC50 = 10.0 nM 341.39 C[S+]([O-])CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL4062387 OBDepict O N H N H 3 C H 3 C CH 3 O N H N N IC50 = 10.0 nM 285.31 Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4780209 OBDepict O N H N H 3 C O N H N N IC50 = 10.5 nM 325.37 Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1 Homo sapiens CHEMBL4666433 assay format
CHEMBL4113364 OBDepict H 3 C O N O N N N O H O N H IC50 = 11.0 nM 381.39 COc1nccc2oc(-c3cnc4ccc(OC[C@H]5CNCCO5)nn34)cc12 Homo sapiens CHEMBL3888102 single protein format
CHEMBL478629 OBDepict N O N N N N IC50 = 11.0 nM 399.5 c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1 Homo sapiens CHEMBL1272385 single protein format
CHEMBL3947209 OBDepict CH 3 S O N N N O IC50 = 11.0 nM 339.42 CSCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3917524 OBDepict CH 3 O N N N O S O O H 3 C IC50 = 11.0 nM 385.45 Cc1cc2ncc(-c3cc4ccccc4o3)n2nc1OCCCS(C)(=O)=O Homo sapiens CHEMBL3888325 single protein format
CHEMBL4764756 OBDepict Cl N O N H N NH 2 IC50 = 11.0 nM 350.81 Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)ccc12 Homo sapiens CHEMBL4735373 assay format
CHEMBL3942067 OBDepict CH 3 O N O N N N O S O O CH 3 IC50 = 12.0 nM 402.43 COc1nccc2oc(-c3cnc4ccc(OCCCS(C)(=O)=O)nn34)cc12 Homo sapiens CHEMBL3888325 single protein format
CHEMBL4752141 OBDepict F N O N H N NH 2 IC50 = 12.0 nM 334.35 Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4ccccc4F)c3)ccc12 Homo sapiens CHEMBL4735373 assay format
CHEMBL3893616 OBDepict O N F F F S O CH 3 O N N N O IC50 = 13.0 nM 466.44 CS(=O)(CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC(=O)C(F)(F)F Homo sapiens CHEMBL3888325 single protein format
CHEMBL4752141 OBDepict F N O N H N NH 2 Ki = 13.6 nM 334.35 Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4ccccc4F)c3)ccc12 Homo sapiens CHEMBL4735409 assay format
CHEMBL4107950 OBDepict O N H O CH 3 H F F F N H F N N F N S O IC50 = 14.0 nM 529.49 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12)C(=O)NCC(F)(F)F Homo sapiens CHEMBL3887289 single protein format
CHEMBL4764756 OBDepict Cl N O N H N NH 2 Ki = 14.1 nM 350.81 Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)ccc12 Homo sapiens CHEMBL4735409 assay format
CHEMBL4862651 OBDepict NH 2 N O N N N N IC50 = 14.5 nM 448.53 NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4n3)cc2)CC1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL3916135 OBDepict O N F F F S O CH 3 O N N N O IC50 = 15.0 nM 480.47 CS(=O)(CCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1)=NC(=O)C(F)(F)F Homo sapiens CHEMBL3888325 single protein format
CHEMBL3931048 OBDepict Cl O N N N O S O O CH 3 IC50 = 15.0 nM 405.86 CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3963801 OBDepict CH 3 S O N N N O IC50 = 16.0 nM 325.39 CSCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL4208772 OBDepict N N N N N O N H IC50 = 16.0 nM 408.47 N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nn23)cc1 Homo sapiens CHEMBL4189496 assay format
CHEMBL4872637 OBDepict NH 2 N O N N N IC50 = 16.8 nM 447.54 NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc6cnccc6c5)n4c3)cc2)CC1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL3945413 OBDepict F O N N N O S O O CH 3 IC50 = 17.0 nM 389.41 CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL3974882 OBDepict H 3 C S O O O N N N O IC50 = 17.0 nM 447.52 CS(=O)(=O)CCCOc1nn2c(-c3cc4ccccc4o3)cnc2cc1-c1ccccc1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL4787269 OBDepict F N O N H N NH 2 IC50 = 19.0 nM 334.35 Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(F)c4)c3)ccc12 Homo sapiens CHEMBL4735373 assay format
CHEMBL4213168 OBDepict N N N N N O N CH 3 IC50 = 20.0 nM 422.49 CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4n3)cc2)CC1 Homo sapiens CHEMBL4189496 assay format
CHEMBL4754824 OBDepict O N NH N H N CH 3 O N N HN IC50 = 20.7 nM 409.49 Cc1cc(Nc2cc(N3CCNCC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Homo sapiens CHEMBL4666433 assay format
CHEMBL4110890 OBDepict F O N H H 3 C H N N H O N F CH 3 H F F F N S O CH 3 CH 3 IC50 = 21.0 nM 531.51 C[C@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)cc(F)c12)C(F)(F)F Homo sapiens CHEMBL3887289 single protein format
CHEMBL3919421 OBDepict CH 3 S O N N N O O H 3 C IC50 = 21.0 nM 369.45 COc1cccc2oc(-c3cnc4ccc(OCCCSC)nn34)cc12 Homo sapiens CHEMBL3888325 single protein format
CHEMBL4077341 OBDepict O HN N H N N N N H IC50 = 23.0 nM 266.26 O=C1NCc2cc(Nc3ncnc4[nH]cnc34)ccc21 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL4203889 OBDepict N N N N N O O IC50 = 23.0 nM 409.45 N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)cc1 Homo sapiens CHEMBL4189496 assay format
CHEMBL4112682 OBDepict F O HN CH 3 H N O N N H 3 C CH 3 N S O H 3 C CH 3 IC50 = 25.0 nM 469.54 Cc1cc([C@@H](C)Oc2cc(F)ccc2Nc2ncnc3cc(N=S(C)(C)=O)cc(C)c23)on1 Homo sapiens CHEMBL3887289 single protein format
CHEMBL3959489 OBDepict H 3 C S O N N N O IC50 = 27.0 nM 353.45 CSCCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL1271532 OBDepict H N N N N N O N O IC50 = 27.0 nM 390.45 c1cc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)ccc1OCCN1CCOCC1 Homo sapiens CHEMBL1272385 single protein format
CHEMBL4115007 OBDepict O N H O CH 3 H F F F N H F N N Cl N S O IC50 = 27.0 nM 545.95 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(Cl)c12)C(=O)NCC(F)(F)F Homo sapiens CHEMBL3887289 single protein format
CHEMBL4865426 OBDepict O N H H 2 N N N N N IC50 = 27.3 nM 448.53 N[C@H]1CCCN(C(=O)c2ccc(-c3cn4c(-c5ccc6cnccc6c5)cnc4cn3)cc2)C1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL4099497 OBDepict H 3 C N H O N H N N IC50 = 28.0 nM 240.27 CC1NC(=O)c2ccc(Nc3ccncn3)cc21 Homo sapiens CHEMBL4048639 cell-based format
CHEMBL3915020 OBDepict H 3 C S O O O N N N O N IC50 = 28.0 nM 372.41 CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cnccc4o3)n2n1 Homo sapiens CHEMBL3888325 single protein format
CHEMBL4112904 OBDepict O HN O H 3 C H CH 3 H F F F N H F N N F N S O IC50 = 29.0 nM 543.52 C[C@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12)C(F)(F)F Homo sapiens CHEMBL3887289 single protein format
CHEMBL3901529 OBDepict H 3 C O N O N N N O HN IC50 = 31.0 nM 351.37 COc1nccc2oc(-c3cnc4ccc(OCC5CNC5)nn34)cc12 Homo sapiens CHEMBL3888102 single protein format
CHEMBL4449736 OBDepict O HN N Cl O N H N Ki = 32.0 nM 344.8 O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncc1)c2=O Homo sapiens CHEMBL4350375 single protein format
CHEMBL4110114 OBDepict H 3 C NH H 3 C H O N N N O O N H 3 C IC50 = 32.0 nM 353.38 CN[C@H](C)COc1ccc2ncc(-c3cc4c(OC)nccc4o3)n2n1 Homo sapiens CHEMBL3888102 single protein format
CHEMBL4857509 OBDepict NH 2 N O N N N N IC50 = 32.1 nM 448.53 NC1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc6cnccc6c5)cnc4cn3)cc2)CC1 Homo sapiens CHEMBL4822878 cell-based format
CHEMBL4442209 OBDepict CH 3 O CH 3 O H 2 N N H 3 C N CH 3 N H IC50 = 33.0 nM 350.42 Cc1n[nH]c(C)c1-c1cncc(-c2ccc(C(N)=O)c(OC(C)C)c2)c1 Homo sapiens CHEMBL4380946 cell-based format
CHEMBL4111586 OBDepict CH 3 N O O CH 3 H N N H N N H 3 C N S O CH 3 CH 3 IC50 = 34.0 nM 452.54 Cc1cc([C@@H](C)Oc2ncccc2Nc2ncnc3cc(N=S(C)(C)=O)cc(C)c23)on1 Homo sapiens CHEMBL3887289 single protein format
CHEMBL3982761 OBDepict F O F HN F N N CH 3 N S O IC50 = 34.0 nM 464.51 Cc1cc(N=S2(=O)CCCC2)cc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12 Homo sapiens CHEMBL3887289 single protein format