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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50434692'   
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 E synthase


(Homo sapiens (Human))
BDBM50434692
PNG
(CHEMBL2387592)
Show SMILES Clc1ccc2[nH]c(=O)c3[nH]c(nc3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 434n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair