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SMILES: Fc1ccc(CNc2nc(nc3cc(ccc23)-c2cccs2)N2CCOCC2)cc1F

InChI Key:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50557577   
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))
BDBM50557577
PNG
(CHEMBL4795293)
Show SMILES Fc1ccc(CNc2nc(nc3cc(ccc23)-c2cccs2)N2CCOCC2)cc1F
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>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50557577
PNG
(CHEMBL4795293)
Show SMILES Fc1ccc(CNc2nc(nc3cc(ccc23)-c2cccs2)N2CCOCC2)cc1F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00004
BindingDB Entry DOI: 10.7270/Q2MP56Z1
More data for this
Ligand-Target Pair