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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50112948'   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112948
PNG
((4-(2-chloro-6-methylphenylamino)-6,7-dimethoxyimi...)
Show SMILES COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(CO)n23)c1OC
Show InChI InChI=1S/C20H19ClN4O3/c1-11-5-4-6-12(21)17(11)23-20-14-9-22-16(10-26)25(14)13-7-8-15(27-2)19(28-3)18(13)24-20/h4-9,26H,10H2,1-3H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112948
PNG
((4-(2-chloro-6-methylphenylamino)-6,7-dimethoxyimi...)
Show SMILES COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(CO)n23)c1OC
Show InChI InChI=1S/C20H19ClN4O3/c1-11-5-4-6-12(21)17(11)23-20-14-9-22-16(10-26)25(14)13-7-8-15(27-2)19(28-3)18(13)24-20/h4-9,26H,10H2,1-3H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.20n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair