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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM14840'   
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))
BDBM14840
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-9-11-24(12-10-22)37-30(21-29(36-37)32(2,3)4)35-31(38)34-27-13-14-28(26-8-6-5-7-25(26)27)39-20-17-23-15-18-33-19-16-23/h5-16,18-19,21H,17,20H2,1-4H3,(H2,34,35,38)
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...


J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM14840
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-9-11-24(12-10-22)37-30(21-29(36-37)32(2,3)4)35-31(38)34-27-13-14-28(26-8-6-5-7-25(26)27)39-20-17-23-15-18-33-19-16-23/h5-16,18-19,21H,17,20H2,1-4H3,(H2,34,35,38)
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Article
PubMed
n/an/an/a 0.5n/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))
BDBM14840
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-9-11-24(12-10-22)37-30(21-29(36-37)32(2,3)4)35-31(38)34-27-13-14-28(26-8-6-5-7-25(26)27)39-20-17-23-15-18-33-19-16-23/h5-16,18-19,21H,17,20H2,1-4H3,(H2,34,35,38)
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Article
PubMed
n/an/an/a 0.100n/an/an/an/an/a



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