Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM14839'
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals Inc

LigandPNGBDBM14839(1-(5-tert-Butyl-2-phenyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C30H35N5O3/c1-30(2,3)27-21-28(35(33-27)22-9-5-4-6-10-22)32-29(36)31-25-13-14-26(24-12-8-7-11-23(24)25)38-20-17-34-15-18-37-19-16-34/h4-14,21H,15-20H2,1-3H3,(H2,31,32,36)
Affinity DataKd:  0.0900nMpH: 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

LigandPNGBDBM14839(1-(5-tert-Butyl-2-phenyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C30H35N5O3/c1-30(2,3)27-21-28(35(33-27)22-9-5-4-6-10-22)32-29(36)31-25-13-14-26(24-12-8-7-11-23(24)25)38-20-17-34-15-18-37-19-16-34/h4-14,21H,15-20H2,1-3H3,(H2,31,32,36)
Affinity DataKd:  0.230nMpH: 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

LigandPNGBDBM14839(1-(5-tert-Butyl-2-phenyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C30H35N5O3/c1-30(2,3)27-21-28(35(33-27)22-9-5-4-6-10-22)32-29(36)31-25-13-14-26(24-12-8-7-11-23(24)25)38-20-17-34-15-18-37-19-16-34/h4-14,21H,15-20H2,1-3H3,(H2,31,32,36)
Affinity DataKon:  0.0000150M-1s-1 Koff:  1.54E+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

LigandPNGBDBM14839(1-(5-tert-Butyl-2-phenyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C30H35N5O3/c1-30(2,3)27-21-28(35(33-27)22-9-5-4-6-10-22)32-29(36)31-25-13-14-26(24-12-8-7-11-23(24)25)38-20-17-34-15-18-37-19-16-34/h4-14,21H,15-20H2,1-3H3,(H2,31,32,36)
Affinity DataKon:  0.0000150M-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

LigandPNGBDBM14839(1-(5-tert-Butyl-2-phenyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C30H35N5O3/c1-30(2,3)27-21-28(35(33-27)22-9-5-4-6-10-22)32-29(36)31-25-13-14-26(24-12-8-7-11-23(24)25)38-20-17-34-15-18-37-19-16-34/h4-14,21H,15-20H2,1-3H3,(H2,31,32,36)
Affinity DataKd:  0.0970nMAssay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair