Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50132415'
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50132415(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(CCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H39N5O2/c1-23-11-14-25(15-12-23)37-30(22-29(35-37)32(2,3)4)34-31(38)33-28-16-13-24(26-9-5-6-10-27(26)28)8-7-17-36-18-20-39-21-19-36/h5-6,9-16,22H,7-8,17-21H2,1-4H3,(H2,33,34,38)
Affinity DataKon:  0.0000230M-1s-1 Koff:  1.87E+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
LigandPNGBDBM50132415(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(CCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H39N5O2/c1-23-11-14-25(15-12-23)37-30(22-29(35-37)32(2,3)4)34-31(38)33-28-16-13-24(26-9-5-6-10-27(26)28)8-7-17-36-18-20-39-21-19-36/h5-6,9-16,22H,7-8,17-21H2,1-4H3,(H2,33,34,38)
Affinity DataKd:  1.20nMAssay 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
LigandPNGBDBM50132415(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(CCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H39N5O2/c1-23-11-14-25(15-12-23)37-30(22-29(35-37)32(2,3)4)34-31(38)33-28-16-13-24(26-9-5-6-10-27(26)28)8-7-17-36-18-20-39-21-19-36/h5-6,9-16,22H,7-8,17-21H2,1-4H3,(H2,33,34,38)
Affinity DataKon:  0.0000230M-1s-1Assay Description:Rate of dissociation from Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair