BindingDB logo
myBDB logout

BDBM50124171 4-methoxyphenylsulfamide::CHEMBL165878::N-(4-methoxyphenyl)sulfamide

SMILES: COc1ccc(NS(N)(=O)=O)cc1

InChI Key: InChIKey=ICWBFSCBEZAOCT-UHFFFAOYSA-N

Data: 4 KI  2 Kd

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 6 hits for monomerid = 50124171   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124171
PNG
(4-methoxyphenylsulfamide | CHEMBL165878 | N-(4-met...)
Show SMILES COc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H10N2O3S/c1-12-7-4-2-6(3-5-7)9-13(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124171
PNG
(4-methoxyphenylsulfamide | CHEMBL165878 | N-(4-met...)
Show SMILES COc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H10N2O3S/c1-12-7-4-2-6(3-5-7)9-13(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124171
PNG
(4-methoxyphenylsulfamide | CHEMBL165878 | N-(4-met...)
Show SMILES COc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H10N2O3S/c1-12-7-4-2-6(3-5-7)9-13(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.44E+4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by carbon dioxide hydration


J Med Chem 49: 3496-500 (2006)


Article DOI: 10.1021/jm058279n
BindingDB Entry DOI: 10.7270/Q2XP75RG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124171
PNG
(4-methoxyphenylsulfamide | CHEMBL165878 | N-(4-met...)
Show SMILES COc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H10N2O3S/c1-12-7-4-2-6(3-5-7)9-13(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.88E+4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by 4-nitrophenyl acetate hydrolysis


J Med Chem 49: 3496-500 (2006)


Article DOI: 10.1021/jm058279n
BindingDB Entry DOI: 10.7270/Q2XP75RG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124171
PNG
(4-methoxyphenylsulfamide | CHEMBL165878 | N-(4-met...)
Show SMILES COc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H10N2O3S/c1-12-7-4-2-6(3-5-7)9-13(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.65E+3n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human CA2 in presence of sodium sulfate and ANS at pH 7.5 by ThermoFluor assay


J Med Chem 49: 3496-500 (2006)


Article DOI: 10.1021/jm058279n
BindingDB Entry DOI: 10.7270/Q2XP75RG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124171
PNG
(4-methoxyphenylsulfamide | CHEMBL165878 | N-(4-met...)
Show SMILES COc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H10N2O3S/c1-12-7-4-2-6(3-5-7)9-13(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 5.00E+3n/an/an/a7.4n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human CA2 at pH 7.4 by ThermoFluor assay


J Med Chem 49: 3496-500 (2006)


Article DOI: 10.1021/jm058279n
BindingDB Entry DOI: 10.7270/Q2XP75RG
More data for this
Ligand-Target Pair