Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM14837'
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

LigandPNGBDBM14837(3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H26N4O/c1-17-12-14-19(15-13-17)29-23(16-22(28-29)25(2,3)4)27-24(30)26-21-11-7-9-18-8-5-6-10-20(18)21/h5-16H,1-4H3,(H2,26,27,30)
Affinity DataKd:  1nMpH: 7.0 T: 2°CAssay Description:The exchange curve assays were run as two half-reactions using an SLM Aminco Bowman Series 2 model SQ-340 fluorescence detector. In the first half re...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Mus musculus (mouse))
Boehringer Ingelheim Pharmaceuticals Inc

LigandPNGBDBM14837(3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H26N4O/c1-17-12-14-19(15-13-17)29-23(16-22(28-29)25(2,3)4)27-24(30)26-21-11-7-9-18-8-5-6-10-20(18)21/h5-16H,1-4H3,(H2,26,27,30)
Affinity DataKd:  11nMAssay Description:UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

LigandPNGBDBM14837(3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H26N4O/c1-17-12-14-19(15-13-17)29-23(16-22(28-29)25(2,3)4)27-24(30)26-21-11-7-9-18-8-5-6-10-20(18)21/h5-16H,1-4H3,(H2,26,27,30)
Affinity DataKon:  0.000120M-1s-1 Koff:  1.13E+5s-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

LigandPNGBDBM14837(3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H26N4O/c1-17-12-14-19(15-13-17)29-23(16-22(28-29)25(2,3)4)27-24(30)26-21-11-7-9-18-8-5-6-10-20(18)21/h5-16H,1-4H3,(H2,26,27,30)
Affinity DataKd:  1.10nMAssay 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

LigandPNGBDBM14837(3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H26N4O/c1-17-12-14-19(15-13-17)29-23(16-22(28-29)25(2,3)4)27-24(30)26-21-11-7-9-18-8-5-6-10-20(18)21/h5-16H,1-4H3,(H2,26,27,30)
Affinity DataKon:  0.000120M-1s-1Assay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair