BDBM50175811 CHEMBL200215::N-(4-{[4-(1H-benzoimidazol-2-yl)phenylamino]methyl}phenyl)-3-bromo-4-methoxy-benzamide

SMILES: COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1

InChI Key: InChIKey=ZXCHHWOWYQRGIU-UHFFFAOYSA-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 = 50175811   

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))	BDBM50175811 (CHEMBL200215 | N-(4-{[4-(1H-benzoimidazol-2-yl)phe...) Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C28H23BrN4O2/c1-35-26-15-10-20(16-23(26)29)28(34)31-22-11-6-18(7-12-22)17-30-21-13-8-19(9-14-21)27-32-24-4-2-3-5-25(24)33-27/h2-16,30H,17H2,1H3,(H,31,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Inc Curated by ChEMBL					Assay Description Inhibitory activity against heparanase from human platelets				Bioorg Med Chem Lett 16: 404-8 (2005) Article DOI: 10.1016/j.bmcl.2005.09.070 BindingDB Entry DOI: 10.7270/Q2FJ2G9R
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50175811 (CHEMBL200215 | N-(4-{[4-(1H-benzoimidazol-2-yl)phe...) Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C28H23BrN4O2/c1-35-26-15-10-20(16-23(26)29)28(34)31-22-11-6-18(7-12-22)17-30-21-13-8-19(9-14-21)27-32-24-4-2-3-5-25(24)33-27/h2-16,30H,17H2,1H3,(H,31,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	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 GS3 (unknown origin) using fondaparinux as substrate incubated for 3 hrs in absence of light by WST1 based colorimetry				J Med Chem 61: 6918-6936 (2018) Article DOI: 10.1021/acs.jmedchem.8b00908
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50175811 (CHEMBL200215 | N-(4-{[4-(1H-benzoimidazol-2-yl)phe...) Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C28H23BrN4O2/c1-35-26-15-10-20(16-23(26)29)28(34)31-22-11-6-18(7-12-22)17-30-21-13-8-19(9-14-21)27-32-24-4-2-3-5-25(24)33-27/h2-16,30H,17H2,1H3,(H,31,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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