Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50343419'   

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))	BDBM50343419 (CHEMBL1775043 | N-Benzyl-1-(2-chloro-2-phenylethyl...) Show SMILES CS(=O)(=O)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20ClN5O2S/c1-30(28,29)21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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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