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SMILES: Cc1cc(=O)c(Oc2ccc(Br)cc2Cl)c(o1)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=DPYLMVIJRWFZIG-UHFFFAOYSA-N

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 = 50150198   
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))
BDBM50150198
PNG
(3-(4-Bromo-2-chloro-phenoxy)-2-(4-methanesulfonyl-...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2Cl)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14BrClO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 3.52E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood


J Med Chem 47: 3874-86 (2004)


Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50150198
PNG
(3-(4-Bromo-2-chloro-phenoxy)-2-(4-methanesulfonyl-...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2Cl)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14BrClO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50150198
PNG
(3-(4-Bromo-2-chloro-phenoxy)-2-(4-methanesulfonyl-...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2Cl)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14BrClO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.52E+4n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibitory concentration for Cyclooxygenase-1 (Prostaglandin G/H synthase 1) in human whole blood


Bioorg Med Chem Lett 15: 313-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.077
BindingDB Entry DOI: 10.7270/Q2NZ88VQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50150198
PNG
(3-(4-Bromo-2-chloro-phenoxy)-2-(4-methanesulfonyl-...)
Show SMILES Cc1cc(=O)c(Oc2ccc(Br)cc2Cl)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14BrClO5S/c1-11-9-16(22)19(26-17-8-5-13(20)10-15(17)21)18(25-11)12-3-6-14(7-4-12)27(2,23)24/h3-10H,1-2H3
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 310n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood


J Med Chem 47: 3874-86 (2004)


Article DOI: 10.1021/jm049882t
BindingDB Entry DOI: 10.7270/Q2HM57WX
More data for this
Ligand-Target Pair