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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 = 'BDBM50301617'   
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))
BDBM50301617
PNG
((S)-1-ethyl-3-(1-(2-(1-phenylethylamino)pyrimidin-...)
Show SMILES CCN1CCN(C1=O)c1ccc2n(cnc2c1)-c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C24H25N7O/c1-3-29-13-14-30(24(29)32)19-9-10-21-20(15-19)26-16-31(21)22-11-12-25-23(28-22)27-17(2)18-7-5-4-6-8-18/h4-12,15-17H,3,13-14H2,1-2H3,(H,25,27,28)/t17-/m0/s1
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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair