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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 = 'BDBM50126744'   
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))
BDBM50126744
PNG
(2-(2,6-Dichloro-phenylamino)-4-[(4-methoxy-benzyla...)
Show SMILES COc1ccc(CNCc2cc3c(C)c(C)[nH]c(=O)c3c3n(C)c(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C28H27Cl2N5O2/c1-15-16(2)32-27(36)23-20(15)12-18(14-31-13-17-8-10-19(37-4)11-9-17)24-26(23)35(3)28(33-24)34-25-21(29)6-5-7-22(25)30/h5-12,31H,13-14H2,1-4H3,(H,32,36)(H,33,34)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/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