BDBM50466645 CHEMBL4294823

SMILES: COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2F)-c2nc3cc(CC(=O)NCC(O)=O)ccc3[nH]2)cc1

InChI Key: InChIKey=UTZOBIFNKGONBE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50466645   

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))	BDBM50466645 (CHEMBL4294823) Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2F)-c2nc3cc(CC(=O)NCC(O)=O)ccc3[nH]2)cc1 Show InChI InChI=1S/C32H27BrFN5O5/c1-44-28-11-6-21(14-23(28)33)32(43)37-22-7-2-18(3-8-22)16-35-25-10-5-20(15-24(25)34)31-38-26-9-4-19(12-27(26)39-31)13-29(40)36-17-30(41)42/h2-12,14-15,35H,13,16-17H2,1H3,(H,36,40)(H,37,43)(H,38,39)(H,41,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	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))	BDBM50466645 (CHEMBL4294823) Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2F)-c2nc3cc(CC(=O)NCC(O)=O)ccc3[nH]2)cc1 Show InChI InChI=1S/C32H27BrFN5O5/c1-44-28-11-6-21(14-23(28)33)32(43)37-22-7-2-18(3-8-22)16-35-25-10-5-20(15-24(25)34)31-38-26-9-4-19(12-27(26)39-31)13-29(40)36-17-30(41)42/h2-12,14-15,35H,13,16-17H2,1H3,(H,36,40)(H,37,43)(H,38,39)(H,41,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	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