BDBM50466632 CHEMBL4291586

SMILES: OC(=O)Cc1ccc2[nH]c(nc2c1)-c1ccc(NC(=O)Nc2ccc(cc2F)-c2nc3cc(CC(O)=O)ccc3[nH]2)c(F)c1

InChI Key: InChIKey=AJZXMZQZFJABCU-UHFFFAOYSA-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 = 50466632   

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))	BDBM50466632 (CHEMBL4291586) Show SMILES OC(=O)Cc1ccc2[nH]c(nc2c1)-c1ccc(NC(=O)Nc2ccc(cc2F)-c2nc3cc(CC(O)=O)ccc3[nH]2)c(F)c1 Show InChI InChI=1S/C31H22F2N6O5/c32-19-13-17(29-34-23-5-1-15(11-27(40)41)9-25(23)36-29)3-7-21(19)38-31(44)39-22-8-4-18(14-20(22)33)30-35-24-6-2-16(12-28(42)43)10-26(24)37-30/h1-10,13-14H,11-12H2,(H,34,36)(H,35,37)(H,40,41)(H,42,43)(H2,38,39,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	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
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