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1 similar compounds to monomer 50097928

Compile data set for download or QSAR
Wt: 243.2
BDBM50097926

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50097926   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steryl-sulfatase


(Homo sapiens (human))
BDBM50097926
PNG
(CHEMBL85681 | Sulfamic acid 4-butyryl-phenyl ester)
Show SMILES CCCC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C10H13NO4S/c1-2-3-10(12)8-4-6-9(7-5-8)15-16(11,13)14/h4-7H,2-3H2,1H3,(H2,11,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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))
BDBM50097926
PNG
(CHEMBL85681 | Sulfamic acid 4-butyryl-phenyl ester)
Show SMILES CCCC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C10H13NO4S/c1-2-3-10(12)8-4-6-9(7-5-8)15-16(11,13)14/h4-7H,2-3H2,1H3,(H2,11,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.98E+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)


Article DOI: 10.1016/s0960-894x(01)00086-5
BindingDB Entry DOI: 10.7270/Q2JW8FFS
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50097926
PNG
(CHEMBL85681 | Sulfamic acid 4-butyryl-phenyl ester)
Show SMILES CCCC(=O)c1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C10H13NO4S/c1-2-3-10(12)8-4-6-9(7-5-8)15-16(11,13)14/h4-7H,2-3H2,1H3,(H2,11,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.98E+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)


Article DOI: 10.1016/s0960-894x(01)00482-6
BindingDB Entry DOI: 10.7270/Q2CF9QMP
More data for this
Ligand-Target Pair