Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50132414'
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50132414(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(3-me...)
Show SMILES COc1cc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc2c1
Show InChI InChI=1S/C26H28N4O2/c1-17-10-12-19(13-11-17)30-24(16-23(29-30)26(2,3)4)28-25(31)27-22-15-20(32-5)14-18-8-6-7-9-21(18)22/h6-16H,1-5H3,(H2,27,28,31)
Affinity DataKon:  0.000340M-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
LigandPNGBDBM50132414(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(3-me...)
Show SMILES COc1cc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc2c1
Show InChI InChI=1S/C26H28N4O2/c1-17-10-12-19(13-11-17)30-24(16-23(29-30)26(2,3)4)28-25(31)27-22-15-20(32-5)14-18-8-6-7-9-21(18)22/h6-16H,1-5H3,(H2,27,28,31)
Affinity DataKon:  0.000340M-1s-1 Koff:  3.61E+4s-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
LigandPNGBDBM50132414(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(3-me...)
Show SMILES COc1cc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc2c1
Show InChI InChI=1S/C26H28N4O2/c1-17-10-12-19(13-11-17)30-24(16-23(29-30)26(2,3)4)28-25(31)27-22-15-20(32-5)14-18-8-6-7-9-21(18)22/h6-16H,1-5H3,(H2,27,28,31)
Affinity DataKd:  9.40nMAssay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair