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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50097928'   
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))
BDBM50097928
PNG
(CHEMBL85467 | Sulfamic acid 4-phenylacetyl-phenyl ...)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C14H13NO4S/c15-20(17,18)19-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of placental microsomal estrone sulfatase (unknown origin) using [3H]-estrone sulphate as substrate incubated for 20 mins by scintillation...


Eur J Med Chem 114: 170-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.054
BindingDB Entry DOI: 10.7270/Q26Q2048
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50097928
PNG
(CHEMBL85467 | Sulfamic acid 4-phenylacetyl-phenyl ...)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C14H13NO4S/c15-20(17,18)19-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of Estrone sulfatase


Bioorg Med Chem Lett 11: 841-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8FFS
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50097928
PNG
(CHEMBL85467 | Sulfamic acid 4-phenylacetyl-phenyl ...)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C14H13NO4S/c15-20(17,18)19-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of estrone sulfatase (ES)


Bioorg Med Chem Lett 11: 2525-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9QMP
More data for this
Ligand-Target Pair