Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Breakpoint cluster region protein/Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50186760'   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50186760 (4-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-2,6-dimetho...) Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)c(O)c(OC)c2)c1 Show InChI InChI=1S/C18H20O5/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(22-3)18(19)17(10-13)23-4/h5-11,19H,1-4H3/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl				J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ
					More data for this Ligand-Target Pair