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BDBM50161271 CHEMBL3785540

SMILES: Fc1ccc(cc1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=CUQSBYJYIVHHFX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50161271   
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-2)


(Ovis aries (Sheep))
BDBM50161271
PNG
(CHEMBL3785540)
Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O3/c24-19-13-11-16(12-14-19)20(27)15-26-21(28)23(25-22(26)29,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.52E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161271
PNG
(CHEMBL3785540)
Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O3/c24-19-13-11-16(12-14-19)20(27)15-26-21(28)23(25-22(26)29,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H,25,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.05E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair