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SMILES: CCc1nc(C2CCCCC2)c(o1)-c1ccc(c(F)c1)S(N)(=O)=O

InChI Key: InChIKey=KBTZNTKGFHORAG-UHFFFAOYSA-N

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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 = 50110995   
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))
BDBM50110995
PNG
(4-(4-Cyclohexyl-2-ethyl-oxazol-5-yl)-2-fluoro-benz...)
Show SMILES CCc1nc(C2CCCCC2)c(o1)-c1ccc(c(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C17H21FN2O3S/c1-2-15-20-16(11-6-4-3-5-7-11)17(23-15)12-8-9-14(13(18)10-12)24(19,21)22/h8-11H,2-7H2,1H3,(H2,19,21,22)
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 120n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified Prostaglandin G/H synthase 2


J Med Chem 45: 1511-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H995XZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50110995
PNG
(4-(4-Cyclohexyl-2-ethyl-oxazol-5-yl)-2-fluoro-benz...)
Show SMILES CCc1nc(C2CCCCC2)c(o1)-c1ccc(c(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C17H21FN2O3S/c1-2-15-20-16(11-6-4-3-5-7-11)17(23-15)12-8-9-14(13(18)10-12)24(19,21)22/h8-11H,2-7H2,1H3,(H2,19,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified Prostaglandin G/H synthase 1


J Med Chem 45: 1511-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H995XZ
More data for this
Ligand-Target Pair