Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50132413'
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50132413(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)c2ccccc2c1OCCN1CCOCC1
Show InChI InChI=1S/C32H39N5O4/c1-22-10-12-23(13-11-22)37-29(21-28(35-37)32(2,3)4)34-31(38)33-26-20-27(39-5)30(25-9-7-6-8-24(25)26)41-19-16-36-14-17-40-18-15-36/h6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38)
Affinity DataKoff:  1.07E+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
LigandPNGBDBM50132413(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)c2ccccc2c1OCCN1CCOCC1
Show InChI InChI=1S/C32H39N5O4/c1-22-10-12-23(13-11-22)37-29(21-28(35-37)32(2,3)4)34-31(38)33-26-20-27(39-5)30(25-9-7-6-8-24(25)26)41-19-16-36-14-17-40-18-15-36/h6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38)
Affinity DataKon:  0.000150M-1s-1 Koff:  1.07E+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
LigandPNGBDBM50132413(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)c2ccccc2c1OCCN1CCOCC1
Show InChI InChI=1S/C32H39N5O4/c1-22-10-12-23(13-11-22)37-29(21-28(35-37)32(2,3)4)34-31(38)33-26-20-27(39-5)30(25-9-7-6-8-24(25)26)41-19-16-36-14-17-40-18-15-36/h6-13,20-21H,14-19H2,1-5H3,(H2,33,34,38)
Affinity DataKd:  14nMAssay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair