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BDBM50048211 CHEMBL344959::N-(6-Cyclohexyloxy-1-oxo-indan-5-yl)-methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC1CCCCC1

InChI Key: InChIKey=WMOXGDVEJALKKH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50048211   
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))
BDBM50048211
PNG
(CHEMBL344959 | N-(6-Cyclohexyloxy-1-oxo-indan-5-yl...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC1CCCCC1
Show InChI InChI=1S/C16H21NO4S/c1-22(19,20)17-14-9-11-7-8-15(18)13(11)10-16(14)21-12-5-3-2-4-6-12/h9-10,12,17H,2-8H2,1H3
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 50n/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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50048211
PNG
(CHEMBL344959 | N-(6-Cyclohexyloxy-1-oxo-indan-5-yl...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC1CCCCC1
Show InChI InChI=1S/C16H21NO4S/c1-22(19,20)17-14-9-11-7-8-15(18)13(11)10-16(14)21-12-5-3-2-4-6-12/h9-10,12,17H,2-8H2,1H3
PDB

UniProtKB/SwissProt

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
Inhibition of Prostaglandin G/H synthase 1 in human U937 cells


J Med Chem 38: 4897-905 (1996)


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