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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50501549'   
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
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50501549
PNG
(CHEMBL4102669)
Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4cc(F)c(F)c(F)c4)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H15F3N2O6S/c24-18-7-12(8-19(25)22(18)26)9-21(29)28-15-4-1-13(2-5-15)17-10-14-3-6-16(34-35(27,31)32)11-20(14)33-23(17)30/h1-8,10-11H,9H2,(H,28,29)(H2,27,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins


Eur J Med Chem 128: 79-87 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV
More data for this
Ligand-Target Pair