Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50244385'   

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))	BDBM50244385 (9-(2,6-dimethylstyryl)-N-(4-(dipropylphosphoryl)ph...) Show SMILES CCCP(=O)(CCC)c1ccc(Nc2nc(nc3n(\C=C\c4c(C)cccc4C)cnc23)C(C)C)cc1 Show InChI InChI=1S/C30H38N5OP/c1-7-18-37(36,19-8-2)25-14-12-24(13-15-25)32-29-27-30(34-28(33-29)21(3)4)35(20-31-27)17-16-26-22(5)10-9-11-23(26)6/h9-17,20-21H,7-8,18-19H2,1-6H3,(H,32,33,34)/b17-16+	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	5.90	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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