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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50262917'   
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))
BDBM50262917
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES COc1cccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)C(=O)NC2CC2)c1
Show InChI InChI=1S/C26H26N2O3/c1-17-6-7-21(26(30)28-22-12-13-22)15-24(17)19-8-10-20(11-9-19)25(29)27-16-18-4-3-5-23(14-18)31-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,29)(H,28,30)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262917
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES COc1cccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)C(=O)NC2CC2)c1
Show InChI InChI=1S/C26H26N2O3/c1-17-6-7-21(26(30)28-22-12-13-22)15-24(17)19-8-10-20(11-9-19)25(29)27-16-18-4-3-5-23(14-18)31-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,29)(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair