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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 = 'BDBM50126754'   
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))
BDBM50126754
PNG
(2-(2,6-Dichloro-phenylamino)-7-(1-hydroxy-allyl)-1...)
Show SMILES Cc1c([nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12)C(O)C=C
Show InChI InChI=1S/C21H18Cl2N4O2/c1-4-15(28)17-10(2)11-8-9-14-19(16(11)20(29)25-17)27(3)21(24-14)26-18-12(22)6-5-7-13(18)23/h4-9,15,28H,1H2,2-3H3,(H,24,26)(H,25,29)
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair