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BDBM50075662 3-(4-Methanesulfonyl-phenyl)-2-phenyl-cyclopent-2-enone::CHEMBL23170

SMILES: CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccccc1

InChI Key: InChIKey=UNHXJQNYRJHGEJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50075662   
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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50075662
PNG
(3-(4-Methanesulfonyl-phenyl)-2-phenyl-cyclopent-2-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C18H16O3S/c1-22(20,21)15-9-7-13(8-10-15)16-11-12-17(19)18(16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human Prostaglandin G/H synthase 2 in the human whole blood assay.


J Med Chem 42: 1274-81 (1999)


Article DOI: 10.1021/jm980642l
BindingDB Entry DOI: 10.7270/Q21V5FNB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50075662
PNG
(3-(4-Methanesulfonyl-phenyl)-2-phenyl-cyclopent-2-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C18H16O3S/c1-22(20,21)15-9-7-13(8-10-15)16-11-12-17(19)18(16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human Prostaglandin G/H synthase 1 (hCOX-1) in the human whole blood assay.


J Med Chem 42: 1274-81 (1999)


Article DOI: 10.1021/jm980642l
BindingDB Entry DOI: 10.7270/Q21V5FNB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50075662
PNG
(3-(4-Methanesulfonyl-phenyl)-2-phenyl-cyclopent-2-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C18H16O3S/c1-22(20,21)15-9-7-13(8-10-15)16-11-12-17(19)18(16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human Prostaglandin G/H synthase 2 in transfected CHO cells.


J Med Chem 42: 1274-81 (1999)


Article DOI: 10.1021/jm980642l
BindingDB Entry DOI: 10.7270/Q21V5FNB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50075662
PNG
(3-(4-Methanesulfonyl-phenyl)-2-phenyl-cyclopent-2-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C18H16O3S/c1-22(20,21)15-9-7-13(8-10-15)16-11-12-17(19)18(16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human Prostaglandin G/H synthase 1 in U937 microsomes .


J Med Chem 42: 1274-81 (1999)


Article DOI: 10.1021/jm980642l
BindingDB Entry DOI: 10.7270/Q21V5FNB
More data for this
Ligand-Target Pair