Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50343423'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343423 (1-[2-Chloro-2-(4-fluorophenyl)ethyl]-N-(pyridin-2-...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccn3)ncnc12 Show InChI InChI=1S/C19H16ClFN6/c20-17(13-4-6-14(21)7-5-13)11-27-19-16(10-26-27)18(24-12-25-19)23-9-15-3-1-2-8-22-15/h1-8,10,12,17H,9,11H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
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