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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin-H2 D-isomerase' and Ligand = 'BDBM50009857'   
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)
BDBM50009857
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(1-methyl-2-morphol...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(C(C)CN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C24H28N2O3/c1-17(16-25-12-14-29-15-13-25)26-18(2)23(21-6-4-5-7-22(21)26)24(27)19-8-10-20(28-3)11-9-19/h4-11,17H,12-16H2,1-3H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 900n/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