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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM14835'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM14835
PNG
(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)
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Article
PubMed
n/an/an/a 23n/an/an/a7.023



Boehringer Ingelheim Pharmaceuticals Inc.



Assay 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...


J Med Chem 46: 4669-75 (2003)


Article DOI: 10.1021/jm030120s
BindingDB Entry DOI: 10.7270/Q2833Q8J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))
BDBM14835
PNG
(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)
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Article
PubMed
n/an/an/a 26n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM14835
PNG
(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)
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PubMed
n/an/an/an/an/a 0.00330 1.45E+5n/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 3101-4 (2003)


BindingDB Entry DOI: 10.7270/Q2CR5SSB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM14835
PNG
(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)
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PubMed
n/an/an/an/an/an/a 1.45E+5n/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Rate of association to Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 3101-4 (2003)


BindingDB Entry DOI: 10.7270/Q2CR5SSB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM14835
PNG
(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)
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PubMed
n/an/an/a 23n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 3101-4 (2003)


BindingDB Entry DOI: 10.7270/Q2CR5SSB
More data for this
Ligand-Target Pair