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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 = 'BDBM50120111'   
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))
BDBM50120111
PNG
((2-Chloro-6-methyl-phenyl)-(8-morpholin-4-yl-imida...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(cc2n2cncc12)N1CCOCC1
Show InChI InChI=1S/C21H20ClN5O/c1-14-3-2-4-16(22)20(14)25-21-19-12-23-13-27(19)18-11-15(5-6-17(18)24-21)26-7-9-28-10-8-26/h2-6,11-13H,7-10H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/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))
BDBM50120111
PNG
((2-Chloro-6-methyl-phenyl)-(8-morpholin-4-yl-imida...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(cc2n2cncc12)N1CCOCC1
Show InChI InChI=1S/C21H20ClN5O/c1-14-3-2-4-16(22)20(14)25-21-19-12-23-13-27(19)18-11-15(5-6-17(18)24-21)26-7-9-28-10-8-26/h2-6,11-13H,7-10H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair