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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50525470'   
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))
BDBM50525470
PNG
(CHEMBL4456330)
Show SMILES CCCCCCC(O)(CCCCc1ccc(OS(N)(=O)=O)cc1)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H41NO4S/c1-5-6-7-9-20-27(29,24-16-14-23(15-17-24)26(2,3)4)21-10-8-11-22-12-18-25(19-13-22)32-33(28,30)31/h12-19,29H,5-11,20-21H2,1-4H3,(H2,28,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human placental steroid sulfatase expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by liquid scintillation counting me...


Eur J Med Chem 179: 257-271 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.052
BindingDB Entry DOI: 10.7270/Q2B27ZQ2
More data for this
Ligand-Target Pair