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BDBM50049924 CHEMBL3322422

SMILES: NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=MJYFZLDUXODMFR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50049924   
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


(Homo sapiens (Human))
BDBM50049924
PNG
(CHEMBL3322422)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H13ClF3N3O2S/c17-14-6-1-10(9-13(14)16(18,19)20)15-22-7-8-23(15)11-2-4-12(5-3-11)26(21,24)25/h1-6,9H,7-8H2,(H2,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay


Eur J Med Chem 84: 160-72 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.023
BindingDB Entry DOI: 10.7270/Q2WQ05FT
More data for this
Ligand-Target Pair