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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' AND taxid = 10116   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus)
BDBM50073853
PNG
(CHEMBL33862 | Sulfamic acid 4-{(E)-1-[4-(2-dimethy...)
Show SMILES CC\C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OS(N)(=O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H30N2O4S/c1-4-25(20-8-6-5-7-9-20)26(22-12-16-24(17-13-22)32-33(27,29)30)21-10-14-23(15-11-21)31-19-18-28(2)3/h5-17H,4,18-19H2,1-3H3,(H2,27,29,30)/b26-25+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
3.59E+4n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
In vitro binding affinity against estrone sulfatase in rat liver microsomes


Bioorg Med Chem Lett 9: 141-4 (1999)

More data for this
Ligand-Target Pair
Steryl-sulfatase


(Rattus norvegicus)
BDBM50073852
PNG
(CHEMBL32172 | Sulfamic acid 4-{(Z)-1-[4-(2-dimethy...)
Show SMILES CC\C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OS(N)(=O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H30N2O4S/c1-4-25(20-8-6-5-7-9-20)26(22-12-16-24(17-13-22)32-33(27,29)30)21-10-14-23(15-11-21)31-19-18-28(2)3/h5-17H,4,18-19H2,1-3H3,(H2,27,29,30)/b26-25-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
>5.00E+5n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
In vitro binding affinity against estrone sulfatase in rat liver microsomes


Bioorg Med Chem Lett 9: 141-4 (1999)

More data for this
Ligand-Target Pair