BDBM50506608 CHEMBL4564079

SMILES: COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2F)-c2nc3cc(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc3o2)cc1

InChI Key: InChIKey=SHZHPCRALXXNRM-MHZLTWQESA-N

Data: 1 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 1 hit for monomerid = 50506608   

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))	BDBM50506608 (CHEMBL4564079) Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2F)-c2nc3cc(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc3o2)cc1 |r| Show InChI InChI=1S/C35H30BrFN4O8/c1-48-29-12-6-21(16-24(29)36)33(45)39-23-7-2-19(3-8-23)18-38-26-9-5-22(17-25(26)37)34-41-28-14-20(4-11-30(28)49-34)15-31(42)40-27(35(46)47)10-13-32(43)44/h2-9,11-12,14,16-17,27,38H,10,13,15,18H2,1H3,(H,39,45)(H,40,42)(H,43,44)(H,46,47)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	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