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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 = 'BDBM154573'   
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))
BDBM154573
PNG
(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)
Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+5n/an/an/an/an/an/a



Chemical Biology and Therapeutics, Novartis Institutes for Biomedical Research, 4002 Basel, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of catalytic site of N-terminal His6-tagged ABL (83 to 534 residues) (unknown origin) expressed in Escherichia coli co-expressing Protein ...


ACS Med Chem Lett 8: 632-635 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00084
BindingDB Entry DOI: 10.7270/Q2RB772B
More data for this
Ligand-Target Pair