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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 = 'BDBM50311897'   
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))
BDBM50311897
PNG
(3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)
Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1
Show InChI InChI=1S/C28H27N7O/c1-17(2)19-7-6-8-21(13-19)32-27(36)20-12-11-18(3)23(14-20)34-28-33-22-9-4-5-10-24(22)35(28)26-15-25(29)30-16-31-26/h4-17H,1-3H3,(H,32,36)(H,33,34)(H2,29,30,31)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused LCK expressed in mouse BAF3 cells


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50311897
PNG
(3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)
Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1
Show InChI InChI=1S/C28H27N7O/c1-17(2)19-7-6-8-21(13-19)32-27(36)20-12-11-18(3)23(14-20)34-28-33-22-9-4-5-10-24(22)35(28)26-15-25(29)30-16-31-26/h4-17H,1-3H3,(H,32,36)(H,33,34)(H2,29,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair