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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 10' and Ligand = 'BDBM50173167'   
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 10


(Homo sapiens (Human))
BDBM50173167
PNG
((S)-(2-(4-fluorophenyl)-3-(2-(propylamino)pyrimidi...)
Show SMILES CCCNc1nccc(n1)-c1c(nc2CC[C@@H](CO)n12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN5O/c1-2-10-22-20-23-11-9-16(24-20)19-18(13-3-5-14(21)6-4-13)25-17-8-7-15(12-27)26(17)19/h3-6,9,11,15,27H,2,7-8,10,12H2,1H3,(H,22,23,24)/t15-/m0/s1
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PC cid
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Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK3


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
BindingDB Entry DOI: 10.7270/Q2KS6RP5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50173167
PNG
((S)-(2-(4-fluorophenyl)-3-(2-(propylamino)pyrimidi...)
Show SMILES CCCNc1nccc(n1)-c1c(nc2CC[C@@H](CO)n12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN5O/c1-2-10-22-20-23-11-9-16(24-20)19-18(13-3-5-14(21)6-4-13)25-17-8-7-15(12-27)26(17)19/h3-6,9,11,15,27H,2,7-8,10,12H2,1H3,(H,22,23,24)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibitory activity against c-Jun N-terminal kinase 3 at a concentration of 1.0 uM


Bioorg Med Chem Lett 15: 4666-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.076
BindingDB Entry DOI: 10.7270/Q28G8K8K
More data for this
Ligand-Target Pair