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BDBM50423787 4-Propyl-Benzenesulfonamide::4-Propylbenzenesulfonamide::CHEMBL148660

SMILES: CCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=CICCMHNIYTXWRF-UHFFFAOYSA-N

Data: 2 KI  2 Kd

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50423787   
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))
BDBM50423787
PNG
(4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfo...)
Show SMILES CCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
PDB
MMDB

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CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50423787
PNG
(4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfo...)
Show SMILES CCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50423787
PNG
(4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfo...)
Show SMILES CCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
PDB
UniChem
PubMed
n/an/an/a 5.78E+4n/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as dissociation constant by SPR...


J Med Chem 59: 4245-56 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50423787
PNG
(4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfo...)
Show SMILES CCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PubMed
n/an/an/a 6.06E+4n/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as steady state dissociation co...


J Med Chem 59: 4245-56 (2016)

More data for this
Ligand-Target Pair