Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50147513'   

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))	BDBM50147513 (2-[3-[5-(4-Chloro-phenyl)-benzooxazol-2-yl]-4-(2-m...) Show SMILES COCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C31H22ClN3O6/c1-40-13-12-33-25-10-8-21(35-29(36)22-9-4-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(5-11-27(26)41-28)17-2-6-20(32)7-3-17/h2-11,14-16,33H,12-13H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description In vivo inhibitory activity against human Heparanase				Bioorg Med Chem Lett 14: 3269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.03.086 BindingDB Entry DOI: 10.7270/Q2CC1040
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