Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50297527'   

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))	BDBM50297527 (1-(2-chloro-2-phenylethyl)-N-(4-chlorophenethyl)-6...) Show SMILES CSc1nc(NCCc2ccc(Cl)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C22H21Cl2N5S/c1-30-22-27-20(25-12-11-15-7-9-17(23)10-8-15)18-13-26-29(21(18)28-22)14-19(24)16-5-3-2-4-6-16/h2-10,13,19H,11-12,14H2,1H3,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Abl				Eur J Med Chem 44: 3712-7 (2009) Article DOI: 10.1016/j.ejmech.2009.03.039 BindingDB Entry DOI: 10.7270/Q2SF2W6F
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