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SMILES: CC1(C)OC(=O)C(OC2CCCCC2)=C1c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=XJWSIWJICISLID-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50080083   
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))
BDBM50080083
PNG
(3-Cyclohexyloxy-4-(4-methanesulfonyl-phenyl)-5,5-d...)
Show SMILES CC1(C)OC(=O)C(OC2CCCCC2)=C1c1ccc(cc1)S(C)(=O)=O |c:14|
Show InChI InChI=1S/C19H24O5S/c1-19(2)16(13-9-11-15(12-10-13)25(3,21)22)17(18(20)24-19)23-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3
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 40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay


Bioorg Med Chem Lett 9: 2207-12 (1999)


BindingDB Entry DOI: 10.7270/Q2416W8T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50080083
PNG
(3-Cyclohexyloxy-4-(4-methanesulfonyl-phenyl)-5,5-d...)
Show SMILES CC1(C)OC(=O)C(OC2CCCCC2)=C1c1ccc(cc1)S(C)(=O)=O |c:14|
Show InChI InChI=1S/C19H24O5S/c1-19(2)16(13-9-11-15(12-10-13)25(3,21)22)17(18(20)24-19)23-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>5.80E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay


Bioorg Med Chem Lett 9: 2207-12 (1999)


BindingDB Entry DOI: 10.7270/Q2416W8T
More data for this
Ligand-Target Pair