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BDBM50048207 CHEMBL344351::N-[1-Oxo-6-(pyridin-4-ylsulfanyl)-indan-5-yl]-methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccncc1

InChI Key: InChIKey=ASHXWIUUTZEVNP-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50048207   
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))
BDBM50048207
PNG
(CHEMBL344351 | N-[1-Oxo-6-(pyridin-4-ylsulfanyl)-i...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccncc1
Show InChI InChI=1S/C15H14N2O3S2/c1-22(19,20)17-13-8-10-2-3-14(18)12(10)9-15(13)21-11-4-6-16-7-5-11/h4-9,17H,2-3H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.00E+3n/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