Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50244571'   

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))	BDBM50244571 (9-(2,6-dimethylstyryl)-N6-(4-(dimethylphosphoryl)p...) Show SMILES CN(C)c1nc(Nc2ccc(cc2)P(C)(C)=O)c2ncn(\C=C\c3c(C)cccc3C)c2n1 Show InChI InChI=1S/C25H29N6OP/c1-17-8-7-9-18(2)21(17)14-15-31-16-26-22-23(28-25(30(3)4)29-24(22)31)27-19-10-12-20(13-11-19)33(5,6)32/h7-16H,1-6H3,(H,27,28,29)/b15-14+	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	18	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl kinase				Bioorg Med Chem Lett 18: 4907-12 (2008) Article DOI: 10.1016/j.bmcl.2008.06.042 BindingDB Entry DOI: 10.7270/Q2H41R78
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