BDBM50466634 CHEMBL4290499

SMILES: CC(NC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)Nc2ccc(cc2F)-c2nc3cc(CC(=O)NC(C)C(O)=O)ccc3o2)c(F)c1)C(O)=O

InChI Key: InChIKey=FNCSWFYLMQZKMO-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 = 50466634   

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))	BDBM50466634 (CHEMBL4290499) Show SMILES CC(NC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)Nc2ccc(cc2F)-c2nc3cc(CC(=O)NC(C)C(O)=O)ccc3o2)c(F)c1)C(O)=O Show InChI InChI=1S/C37H30F2N6O9/c1-17(35(48)49)40-31(46)13-19-3-9-29-27(11-19)42-33(53-29)21-5-7-25(23(38)15-21)44-37(52)45-26-8-6-22(16-24(26)39)34-43-28-12-20(4-10-30(28)54-34)14-32(47)41-18(2)36(50)51/h3-12,15-18H,13-14H2,1-2H3,(H,40,46)(H,41,47)(H,48,49)(H,50,51)(H2,44,45,52)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 (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