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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 = 'BDBM50092239'   
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))
BDBM50092239
PNG
(7-Cyclopentyl-5-[4-(2-methoxy-phenoxy)-phenyl]-7H-...)
Show SMILES COc1ccccc1Oc1ccc(cc1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H24N4O2/c1-29-20-8-4-5-9-21(20)30-18-12-10-16(11-13-18)19-14-28(17-6-2-3-7-17)24-22(19)23(25)26-15-27-24/h4-5,8-15,17H,2-3,6-7H2,1H3,(H2,25,26,27)
PDB

UniProtKB/SwissProt

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PC sid
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Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against p56 Lck tyrosine kinase at a concentration of 5 microM ATP.


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092239
PNG
(7-Cyclopentyl-5-[4-(2-methoxy-phenoxy)-phenyl]-7H-...)
Show SMILES COc1ccccc1Oc1ccc(cc1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H24N4O2/c1-29-20-8-4-5-9-21(20)30-18-12-10-16(11-13-18)19-14-28(17-6-2-3-7-17)24-22(19)23(25)26-15-27-24/h4-5,8-15,17H,2-3,6-7H2,1H3,(H2,25,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 20n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair