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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 = 'BDBM50490890'   
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))
BDBM50490890
PNG
(CHEMBL2347719)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccc(N)cc1OC
Show InChI InChI=1S/C17H18N4O2S/c1-3-19-16(22)21-17-20-13-7-4-10(8-15(13)24-17)12-6-5-11(18)9-14(12)23-2/h4-9H,3,18H2,1-2H3,(H2,19,20,21,22)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.110n/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