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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin-H2 D-isomerase' and Ligand = 'BDBM50009868'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009868
PNG
((4-Methoxy-phenyl)-[1-(2-morpholin-4-yl-ethyl)-1H-...)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C22H24N2O3/c1-26-18-8-6-17(7-9-18)22(25)20-16-24(21-5-3-2-4-19(20)21)11-10-23-12-14-27-15-13-23/h2-9,16H,10-15H2,1H3
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PC cid
PC sid
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in mouse vas deferens


J Med Chem 34: 1099-110 (1991)


Article DOI: 10.1021/jm00107a034
BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009868
PNG
((4-Methoxy-phenyl)-[1-(2-morpholin-4-yl-ethyl)-1H-...)
Show SMILES COc1ccc(cc1)C(=O)c1cn(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C22H24N2O3/c1-26-18-8-6-17(7-9-18)22(25)20-16-24(21-5-3-2-4-19(20)21)11-10-23-12-14-27-15-13-23/h2-9,16H,10-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


Article DOI: 10.1021/jm00107a034
BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair