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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase TXK' and Ligand = 'BDBM50381093'   
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 TXK


(Homo sapiens (Human))
BDBM50381093
PNG
(CHEMBL2017554)
Show SMILES CCC(O)(CC)c1cc(OCCN2CCOCC2)c2cc([nH]c2c1)-c1n[nH]c2ccsc12
Show InChI InChI=1S/C24H30N4O3S/c1-3-24(29,4-2)16-13-19-17(21(14-16)31-11-8-28-6-9-30-10-7-28)15-20(25-19)22-23-18(26-27-22)5-12-32-23/h5,12-15,25,29H,3-4,6-11H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 55.7n/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Inhibition of Txk autophosphorylation using [33P]ATP by scintillation counting


Bioorg Med Chem Lett 22: 3296-300 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.016
BindingDB Entry DOI: 10.7270/Q2BG2Q00
More data for this
Ligand-Target Pair