BindingDB logo
myBDB logout

BDBM50082364 4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-(pyridin-2-yloxy)-5H-furan-2-one::CHEMBL110822

SMILES: CC1(C)OC(=O)C(Oc2ccccn2)=C1c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=BXKQWMSQWNZDTH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50082364   
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-1 (COX-1)


(Homo sapiens (Human))
BDBM50082364
PNG
(4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-(pyrid...)
Show SMILES CC1(C)OC(=O)C(Oc2ccccn2)=C1c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H17NO5S/c1-18(2)15(12-7-9-13(10-8-12)25(3,21)22)16(17(20)24-18)23-14-6-4-5-11-19-14/h4-11H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in U-937 (human lymphoma) cell microsomes.


Bioorg Med Chem Lett 9: 3187-92 (1999)


Article DOI: 10.1016/s0960-894x(99)00560-0
BindingDB Entry DOI: 10.7270/Q2KK9B09
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50082364
PNG
(4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-(pyrid...)
Show SMILES CC1(C)OC(=O)C(Oc2ccccn2)=C1c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H17NO5S/c1-18(2)15(12-7-9-13(10-8-12)25(3,21)22)16(17(20)24-18)23-14-6-4-5-11-19-14/h4-11H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PGE-2 production in CHO cells expressing human COX-2.


Bioorg Med Chem Lett 9: 3187-92 (1999)


Article DOI: 10.1016/s0960-894x(99)00560-0
BindingDB Entry DOI: 10.7270/Q2KK9B09
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50082364
PNG
(4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-(pyrid...)
Show SMILES CC1(C)OC(=O)C(Oc2ccccn2)=C1c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H17NO5S/c1-18(2)15(12-7-9-13(10-8-12)25(3,21)22)16(17(20)24-18)23-14-6-4-5-11-19-14/h4-11H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PGE-2 production in CHO cells expressing human COX-2.


Bioorg Med Chem Lett 9: 3187-92 (1999)


Article DOI: 10.1016/s0960-894x(99)00560-0
BindingDB Entry DOI: 10.7270/Q2KK9B09
More data for this
Ligand-Target Pair