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BDBM50029615 4-[2-(4-Chloro-phenyl)-cyclopent-1-enyl]-benzenesulfonamide::4-[2-(4-chlorophenyl)cyclopent-1-en-1-yl]benzenesulfonamide::CHEMBL111590

SMILES: NS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=SEOHAKCJVHNLFU-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50029615   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50029615
PNG
(4-[2-(4-Chloro-phenyl)-cyclopent-1-enyl]-benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1 |t:11|
Show InChI InChI=1S/C17H16ClNO2S/c18-14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)22(19,20)21/h4-11H,1-3H2,(H2,19,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 1.


J Med Chem 38: 4570-8 (1995)


BindingDB Entry DOI: 10.7270/Q23N22D2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029615
PNG
(4-[2-(4-Chloro-phenyl)-cyclopent-1-enyl]-benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1 |t:11|
Show InChI InChI=1S/C17H16ClNO2S/c18-14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)22(19,20)21/h4-11H,1-3H2,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 3.02n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2


J Med Chem 44: 3223-30 (2001)


BindingDB Entry DOI: 10.7270/Q2736S4D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029615
PNG
(4-[2-(4-Chloro-phenyl)-cyclopent-1-enyl]-benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1 |t:11|
Show InChI InChI=1S/C17H16ClNO2S/c18-14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)22(19,20)21/h4-11H,1-3H2,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).


J Med Chem 38: 4570-8 (1995)


BindingDB Entry DOI: 10.7270/Q23N22D2
More data for this
Ligand-Target Pair