BDBM50165612 (2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-phenyl}-benzooxazol-5-yl)-acetic acid::2-(2-(4-(3-(4-bromophenyl)acrylamido)phenyl)benzo[d]oxazol-5-yl)acetic acid::CHEMBL197566

SMILES: OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1

InChI Key: InChIKey=AAEYZBWTBCAWLV-UUILKARUSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50165612   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heparanase (Homo sapiens (Human))	BDBM50165612 ((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-pheny...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-7-1-15(2-8-18)4-12-22(28)26-19-9-5-17(6-10-19)24-27-20-13-16(14-23(29)30)3-11-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b12-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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))	BDBM50165612 ((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-pheny...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-7-1-15(2-8-18)4-12-22(28)26-19-9-5-17(6-10-19)24-27-20-13-16(14-23(29)30)3-11-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b12-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HPSE (unknown origin) using fondaparinux as substrate incubated for 3 hrs in absence of light by WST1 assay				J Med Chem 61: 10834-10859 (2018) Article DOI: 10.1021/acs.jmedchem.8b01497 BindingDB Entry DOI: 10.7270/Q29K4DWD
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50165612 ((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-pheny...) Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H17BrN2O4/c25-18-7-1-15(2-8-18)4-12-22(28)26-19-9-5-17(6-10-19)24-27-20-13-16(14-23(29)30)3-11-21(20)31-24/h1-13H,14H2,(H,26,28)(H,29,30)/b12-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	603	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