Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50165659'   

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
Heparanase (Homo sapiens (Human))	BDBM50165659 ((2-{4-[2-(3-Bromo-phenylcarbamoyl)-vinyl]-phenyl}-...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-2-1-3-19(14-18)26-22(28)11-7-15-4-8-17(9-5-15)24-27-20-12-16(13-23(29)30)6-10-21(20)31-24/h1-12,14H,13H2,(H,26,28)(H,29,30)/b11-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human Heparanase				Bioorg Med Chem Lett 15: 2295-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.014 BindingDB Entry DOI: 10.7270/Q2BP029G
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165659 ((2-{4-[2-(3-Bromo-phenylcarbamoyl)-vinyl]-phenyl}-...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-2-1-3-19(14-18)26-22(28)11-7-15-4-8-17(9-5-15)24-27-20-12-16(13-23(29)30)6-10-21(20)31-24/h1-12,14H,13H2,(H,26,28)(H,29,30)/b11-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Sharif University of Technology Curated by ChEMBL					Assay Description Inhibition of heparanase				Eur J Med Chem 43: 548-56 (2008) Article DOI: 10.1016/j.ejmech.2007.04.014 BindingDB Entry DOI: 10.7270/Q2PC33KM
					More data for this Ligand-Target Pair