Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1/ABL2' and Ligand = 'BDBM6102'   

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/ABL2 (Homo sapiens (Human))	BDBM6102 (4-[(2-Chloro-5-methoxyphenyl)amino]-6-methoxy-7-[(...) Show SMILES COc1ccc(Cl)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1 Show InChI InChI=1S/C25H27ClN4O3/c1-30-8-6-16(7-9-30)15-33-24-12-21-19(11-23(24)32-3)25(17(13-27)14-28-21)29-22-10-18(31-2)4-5-20(22)26/h4-5,10-12,14,16H,6-9,15H2,1-3H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
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