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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50329201'   
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))
BDBM50329201
PNG
(3-((2,2-dimethylpiperidin-1-yl)methyl)-N-(6-methyl...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3(C)C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H26N8S/c1-14-12-29-17(15-9-23-24-10-15)11-22-20(29)19(25-14)26-18-8-16(27-30-18)13-28-7-5-4-6-21(28,2)3/h8-12H,4-7,13H2,1-3H3,(H,23,24)(H,25,26)
PDB

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair