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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50121058'   
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))
BDBM50121058
PNG
(CHEMBL275331)
Show SMILES Cc1c(C)c(=O)oc2cc(OS(N)(=O)=O)ccc12
Show InChI InChI=1S/C11H11NO5S/c1-6-7(2)11(13)16-10-5-8(3-4-9(6)10)17-18(12,14)15/h3-5H,1-2H3,(H2,12,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human sulfatase using 4-methylumbelliferyl sulfate as substrate after 60 mins


Eur J Med Chem 177: 116-143 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.023
BindingDB Entry DOI: 10.7270/Q2W099B9
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50121058
PNG
(CHEMBL275331)
Show SMILES Cc1c(C)c(=O)oc2cc(OS(N)(=O)=O)ccc12
Show InChI InChI=1S/C11H11NO5S/c1-6-7(2)11(13)16-10-5-8(3-4-9(6)10)17-18(12,14)15/h3-5H,1-2H3,(H2,12,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of STS activity in human MCF7 cells


J Med Chem 58: 7634-58 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00386
BindingDB Entry DOI: 10.7270/Q2474CP9
More data for this
Ligand-Target Pair