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BDBM50474742 CHEMBL166295

SMILES: CC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=IDNOBTBHVRBURO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50474742   
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 (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50474742
PNG
(CHEMBL166295)
Show SMILES CC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H17NO4S/c1-18(2)17(20)15(12-6-4-3-5-7-12)16(23-18)13-8-10-14(11-9-13)24(19,21)22/h3-11H,1-2H3,(H2,19,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23.3n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM50474742
PNG
(CHEMBL166295)
Show SMILES CC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H17NO4S/c1-18(2)17(20)15(12-6-4-3-5-7-12)16(23-18)13-8-10-14(11-9-13)24(19,21)22/h3-11H,1-2H3,(H2,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 177n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair