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BDBM50098109 3-nitrophenyl sulfamate::CHEMBL283560::Sulfamic acid 3-nitro-phenyl ester

SMILES: NS(=O)(=O)Oc1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=QWDSPXBFZFLOLQ-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50098109   
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
Arylsulfatase


(Pseudomonas aeruginosa)
BDBM50098109
PNG
(3-nitrophenyl sulfamate | CHEMBL283560 | Sulfamic ...)
Show SMILES NS(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O5S/c7-14(11,12)13-6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
130n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa recombinant arylsulfatase A expressed in Escherichia coli


Bioorg Med Chem Lett 19: 477-80 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.059
BindingDB Entry DOI: 10.7270/Q2M61K4G
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50098109
PNG
(3-nitrophenyl sulfamate | CHEMBL283560 | Sulfamic ...)
Show SMILES NS(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O5S/c7-14(11,12)13-6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
In vitro inhibition of estrone sulfatase.


Bioorg Med Chem Lett 12: 1279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00137-3
BindingDB Entry DOI: 10.7270/Q2MC90K1
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50098109
PNG
(3-nitrophenyl sulfamate | CHEMBL283560 | Sulfamic ...)
Show SMILES NS(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O5S/c7-14(11,12)13-6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory concentration against estrone sulfatase


Bioorg Med Chem Lett 11: 899-902 (2001)


Article DOI: 10.1016/s0960-894x(01)00087-7
BindingDB Entry DOI: 10.7270/Q25M6678
More data for this
Ligand-Target Pair