Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50322569'   

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))	BDBM50322569 (CHEMBL1172719 | N-{3-Cyclopropyl-4-[(4-methylpiper...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C2CC2)CC1 Show InChI InChI=1S/C31H32N6O/c1-22-5-6-25(18-24(22)10-12-28-20-32-30-4-3-13-33-37(28)30)31(38)34-27-11-9-26(29(19-27)23-7-8-23)21-36-16-14-35(2)15-17-36/h3-6,9,11,13,18-20,23H,7-8,14-17,21H2,1-2H3,(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	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 after 1 hr by TR-FRET assay				J Med Chem 53: 4701-19 (2010) Article DOI: 10.1021/jm100395q BindingDB Entry DOI: 10.7270/Q27P8ZKX
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