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BDBM50075673 2-(4-Chloro-3-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone::CHEMBL23175

SMILES: CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccc(Cl)c(F)c1

InChI Key: InChIKey=GAAWMIACGLOHRF-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 = 50075673   
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 1


(Homo sapiens (Human))
BDBM50075673
PNG
(2-(4-Chloro-3-fluoro-phenyl)-3-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccc(Cl)c(F)c1 |t:11|
Show InChI InChI=1S/C18H14ClFO3S/c1-24(22,23)13-5-2-11(3-6-13)14-7-9-17(21)18(14)12-4-8-15(19)16(20)10-12/h2-6,8,10H,7,9H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50075673
PNG
(2-(4-Chloro-3-fluoro-phenyl)-3-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccc(Cl)c(F)c1 |t:11|
Show InChI InChI=1S/C18H14ClFO3S/c1-24(22,23)13-5-2-11(3-6-13)14-7-9-17(21)18(14)12-4-8-15(19)16(20)10-12/h2-6,8,10H,7,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15n/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 2


(Homo sapiens (Human))
BDBM50075673
PNG
(2-(4-Chloro-3-fluoro-phenyl)-3-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccc(Cl)c(F)c1 |t:11|
Show InChI InChI=1S/C18H14ClFO3S/c1-24(22,23)13-5-2-11(3-6-13)14-7-9-17(21)18(14)12-4-8-15(19)16(20)10-12/h2-6,8,10H,7,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 150n/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))
BDBM50075673
PNG
(2-(4-Chloro-3-fluoro-phenyl)-3-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccc(Cl)c(F)c1 |t:11|
Show InChI InChI=1S/C18H14ClFO3S/c1-24(22,23)13-5-2-11(3-6-13)14-7-9-17(21)18(14)12-4-8-15(19)16(20)10-12/h2-6,8,10H,7,9H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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