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SMILES: CCCCOc1nc(OCC(C)(C)O)c(cc1COCCO)-c1ccc(cc1)S(C)(=O)=O

InChI Key:

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 = 50566905   
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 2


(Homo sapiens (Human))
BDBM50566905
PNG
(CHEMBL4877517)
Show SMILES CCCCOc1nc(OCC(C)(C)O)c(cc1COCCO)-c1ccc(cc1)S(C)(=O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin) expressed in HEK293 TRex cells assessed as reduction in PGE2 production using arachidonic acid as substrate prein...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00890
BindingDB Entry DOI: 10.7270/Q24B352D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50566905
PNG
(CHEMBL4877517)
Show SMILES CCCCOc1nc(OCC(C)(C)O)c(cc1COCCO)-c1ccc(cc1)S(C)(=O)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin) expressed in HEK293 TRex cells assessed as reduction in PGE2 production using arachidonic acid as substrate prein...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00890
BindingDB Entry DOI: 10.7270/Q24B352D
More data for this
Ligand-Target Pair