Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50115209'
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL
LigandPNGBDBM50115209(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
Affinity DataIC50: 2.30E+3nMAssay Description:Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL
LigandPNGBDBM50115209(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL
LigandPNGBDBM50115209(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
Affinity DataKoff:  1.30E+4s-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))
Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL
LigandPNGBDBM50115209(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
Affinity DataKon:  0.00390M-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))
Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL
LigandPNGBDBM50115209(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
Affinity DataKd:  300nMAssay Description:Binding affinity for Mitogen-activated protein kinase p38 alphaMore data for this Ligand-Target Pair