Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM14835'
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

LigandPNGBDBM14835(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H33N5O3/c1-25(2,3)22-17-23(29(4)28-22)27-24(31)26-20-9-10-21(19-8-6-5-7-18(19)20)33-16-13-30-11-14-32-15-12-30/h5-10,17H,11-16H2,1-4H3,(H2,26,27,31)
Affinity DataKd:  23nMpH: 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

LigandPNGBDBM14835(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H33N5O3/c1-25(2,3)22-17-23(29(4)28-22)27-24(31)26-20-9-10-21(19-8-6-5-7-18(19)20)33-16-13-30-11-14-32-15-12-30/h5-10,17H,11-16H2,1-4H3,(H2,26,27,31)
Affinity DataKd:  26nMpH: 7.0 T: 2°CAssay 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

LigandPNGBDBM14835(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H33N5O3/c1-25(2,3)22-17-23(29(4)28-22)27-24(31)26-20-9-10-21(19-8-6-5-7-18(19)20)33-16-13-30-11-14-32-15-12-30/h5-10,17H,11-16H2,1-4H3,(H2,26,27,31)
Affinity DataKon:  0.00330M-1s-1 Koff:  1.45E+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

LigandPNGBDBM14835(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H33N5O3/c1-25(2,3)22-17-23(29(4)28-22)27-24(31)26-20-9-10-21(19-8-6-5-7-18(19)20)33-16-13-30-11-14-32-15-12-30/h5-10,17H,11-16H2,1-4H3,(H2,26,27,31)
Affinity DataKoff:  1.45E+5s-1Assay Description:Rate of association to Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

LigandPNGBDBM14835(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H33N5O3/c1-25(2,3)22-17-23(29(4)28-22)27-24(31)26-20-9-10-21(19-8-6-5-7-18(19)20)33-16-13-30-11-14-32-15-12-30/h5-10,17H,11-16H2,1-4H3,(H2,26,27,31)
Affinity DataKd:  23nMAssay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair