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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50466623'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Heparanase


(Homo sapiens (Human))		BDBM50466623
PNG
(CHEMBL4295004)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=S)Nc2ccc(cc2F)-c2nc3cc(CC(O)=O)ccc3o2)c(F)c1
Show InChI InChI=1S/C31H20F2N4O6S/c32-19-13-17(29-34-23-9-15(11-27(38)39)1-7-25(23)42-29)3-5-21(19)36-31(44)37-22-6-4-18(14-20(22)33)30-35-24-10-16(12-28(40)41)2-8-26(24)43-30/h1-10,13-14H,11-12H2,(H,38,39)(H,40,41)(H2,36,37,44)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/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