Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1/ABL2' and Ligand = 'BDBM50097959'   

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))	BDBM50097959 (7-{1-[2-(2-Methoxy-ethylamino)-ethyl]-piperidin-4-...) Show SMILES COCCNCCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H32N6O2/c1-30-13-9-25-8-12-28-10-6-18(7-11-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)26-16-27-23(21)29/h3-5,14-16,18,25H,6-13H2,1-2H3,(H2,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
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