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BDBM50068169 Acetic acid 2-cyclohexylsulfanyl-phenyl ester::CHEMBL356093

SMILES: CC(=O)Oc1ccccc1SC1CCCCC1

InChI Key: InChIKey=XOKJQJFXMVCDCE-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 = 50068169   
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50068169
PNG
(Acetic acid 2-cyclohexylsulfanyl-phenyl ester | CH...)
Show SMILES CC(=O)Oc1ccccc1SC1CCCCC1
Show InChI InChI=1S/C14H18O2S/c1-11(15)16-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Center in Molecular Toxicology and The Vanderbilt Cancer Center

Curated by ChEMBL


Assay Description
Inhibitory concentration in DMSO with purified ovine Prostaglandin G/H synthase 1 (COX-1).


J Med Chem 41: 4800-18 (1998)


Article DOI: 10.1021/jm980303s
BindingDB Entry DOI: 10.7270/Q2959GQR
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50068169
PNG
(Acetic acid 2-cyclohexylsulfanyl-phenyl ester | CH...)
Show SMILES CC(=O)Oc1ccccc1SC1CCCCC1
Show InChI InChI=1S/C14H18O2S/c1-11(15)16-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
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>4.00E+4n/an/an/an/an/an/a



Center in Molecular Toxicology and The Vanderbilt Cancer Center

Curated by ChEMBL


Assay Description
Inhibitory concentration in DMSO with purified human Prostaglandin G/H synthase 2 (COX-2)


J Med Chem 41: 4800-18 (1998)


Article DOI: 10.1021/jm980303s
BindingDB Entry DOI: 10.7270/Q2959GQR
More data for this
Ligand-Target Pair