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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50490915'   
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 ABL1


(Homo sapiens (Human))
BDBM50490915
PNG
(CHEMBL2347727)
Show SMILES CCOc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1
Show InChI InChI=1S/C18H19N3O3S/c1-2-24-15-6-4-3-5-13(15)12-7-8-14-16(11-12)25-18(20-14)21-17(23)19-9-10-22/h3-8,11,22H,2,9-10H2,1H3,(H2,19,20,21,23)
PDB
MMDB

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Korea Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of breakpoint cluster region-Abelson tyrosine kinase T315I mutant (unknown origin) using [gamma-33P]ATP as substrate by radiometric kinase...


J Med Chem 56: 3531-45 (2013)


Article DOI: 10.1021/jm301891t
BindingDB Entry DOI: 10.7270/Q2BG2RW2
More data for this
Ligand-Target Pair