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BDBM50392667 CHEMBL2153829

SMILES: Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCO

InChI Key: InChIKey=GCBUIHJFEOFNFQ-UHFFFAOYNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50392667   
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
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50392667
PNG
(CHEMBL2153829)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCO
Show InChI InChI=1/C23H25FN2O5S/c1-15-20(22(25)23(28)31-13-3-12-27)14-21(26(15)18-8-6-17(24)7-9-18)16-4-10-19(11-5-16)32(2,29)30/h4-11,14,22,27H,3,12-13,25H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay


Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM50392667
PNG
(CHEMBL2153829)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCO
Show InChI InChI=1/C23H25FN2O5S/c1-15-20(22(25)23(28)31-13-3-12-27)14-21(26(15)18-8-6-17(24)7-9-18)16-4-10-19(11-5-16)32(2,29)30/h4-11,14,22,27H,3,12-13,25H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated PGE2 production in mouse J774 cells preincubated for 15 mins measured after 30 mins by radioimmunoassay


Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair