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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50525473'   
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))
BDBM50525473
PNG
(CHEMBL4520442)
Show SMILES CCCCCCc1c(C)c2ccc(OS(N)(=O)=O)cc2oc1=O
Show InChI InChI=1S/C16H21NO5S/c1-3-4-5-6-7-14-11(2)13-9-8-12(22-23(17,19)20)10-15(13)21-16(14)18/h8-10H,3-7H2,1-2H3,(H2,17,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.680n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells


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
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50525473
PNG
(CHEMBL4520442)
Show SMILES CCCCCCc1c(C)c2ccc(OS(N)(=O)=O)cc2oc1=O
Show InChI InChI=1S/C16H21NO5S/c1-3-4-5-6-7-14-11(2)13-9-8-12(22-23(17,19)20)10-15(13)21-16(14)18/h8-10H,3-7H2,1-2H3,(H2,17,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase derived form human placental microsomes


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