Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50165660'   

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))	BDBM50165660 (2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-(pr...) Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C31H22ClN3O5/c1-2-13-33-25-11-9-21(35-29(36)22-10-5-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(6-12-27(26)40-28)17-3-7-20(32)8-4-17/h3-12,14-16,33H,2,13H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 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))	BDBM50165660 (2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-(pr...) Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C31H22ClN3O5/c1-2-13-33-25-11-9-21(35-29(36)22-10-5-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(6-12-27(26)40-28)17-3-7-20(32)8-4-17/h3-12,14-16,33H,2,13H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	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
Heparanase (Homo sapiens (Human))	BDBM50165660 (2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-(pr...) Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C31H22ClN3O5/c1-2-13-33-25-11-9-21(35-29(36)22-10-5-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(6-12-27(26)40-28)17-3-7-20(32)8-4-17/h3-12,14-16,33H,2,13H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL					Assay Description Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G
					More data for this Ligand-Target Pair