Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50345593'   

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))	BDBM50345593 (4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(...) Show SMILES CCC(=O)Nc1ccc(cn1)C#Cc1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C31H32F3N5O2/c1-4-29(40)37-28-12-7-22(19-35-28)6-9-23-17-24(8-5-21(23)2)30(41)36-26-11-10-25(27(18-26)31(32,33)34)20-39-15-13-38(3)14-16-39/h5,7-8,10-12,17-19H,4,13-16,20H2,1-3H3,(H,36,41)(H,35,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild type human ABL using [EAIYAAPFAKKK] peptide substrate by Hotspot assay				Bioorg Med Chem Lett 21: 3743-8 (2011) Article DOI: 10.1016/j.bmcl.2011.04.060 BindingDB Entry DOI: 10.7270/Q21G0MM8
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