Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1/ABL2' and Ligand = 'BDBM6096'   

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))	BDBM6096 (3-quinolinecarbonitrile 24 | 4-[(2,4-Dichloro-5-me...) Show SMILES COc1cc(Nc2c(cnc3cc(OCCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H30Cl2N4O3/c1-33-8-6-17(7-9-33)5-4-10-36-26-13-22-19(11-25(26)35-3)27(18(15-30)16-31-22)32-23-14-24(34-2)21(29)12-20(23)28/h11-14,16-17H,4-10H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.780	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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