Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50132416'
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50132416(1-[5-tert-Butyl-2-(3-dimethylaminomethyl-4-methyl-...)
Show SMILES CN(C)Cc1cc(ccc1C)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H44N6O3/c1-24-11-12-26(21-25(24)23-38(5)6)40-32(22-31(37-40)34(2,3)4)36-33(41)35-29-13-14-30(28-10-8-7-9-27(28)29)43-20-17-39-15-18-42-19-16-39/h7-14,21-22H,15-20,23H2,1-6H3,(H2,35,36,41)
Affinity DataKon:  0.0000380M-1s-1Assay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50132416(1-[5-tert-Butyl-2-(3-dimethylaminomethyl-4-methyl-...)
Show SMILES CN(C)Cc1cc(ccc1C)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H44N6O3/c1-24-11-12-26(21-25(24)23-38(5)6)40-32(22-31(37-40)34(2,3)4)36-33(41)35-29-13-14-30(28-10-8-7-9-27(28)29)43-20-17-39-15-18-42-19-16-39/h7-14,21-22H,15-20,23H2,1-6H3,(H2,35,36,41)
Affinity DataKd:  4.80nMAssay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50132416(1-[5-tert-Butyl-2-(3-dimethylaminomethyl-4-methyl-...)
Show SMILES CN(C)Cc1cc(ccc1C)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H44N6O3/c1-24-11-12-26(21-25(24)23-38(5)6)40-32(22-31(37-40)34(2,3)4)36-33(41)35-29-13-14-30(28-10-8-7-9-27(28)29)43-20-17-39-15-18-42-19-16-39/h7-14,21-22H,15-20,23H2,1-6H3,(H2,35,36,41)
Affinity DataKoff:  7.90E+3s-1Assay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair