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BDBM50048202 CHEMBL343853::N-[6-(2,4-Difluoro-benzyl)-1-oxo-indan-5-yl]-methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Cc1ccc(F)cc1F

InChI Key: InChIKey=UBHILSKDYRUXLP-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50048202   
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))
BDBM50048202
PNG
(CHEMBL343853 | N-[6-(2,4-Difluoro-benzyl)-1-oxo-in...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Cc1ccc(F)cc1F
Show InChI InChI=1S/C17H15F2NO3S/c1-24(22,23)20-16-8-10-3-5-17(21)14(10)7-12(16)6-11-2-4-13(18)9-15(11)19/h2,4,7-9,20H,3,5-6H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>200n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells


J Med Chem 38: 4897-905 (1996)


BindingDB Entry DOI: 10.7270/Q28051PC
More data for this
Ligand-Target Pair