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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D Synthase' and Ligand = 'BDBM21628'   
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 D Synthase


(Homo sapiens (Human))
BDBM21628
PNG
(Pyridine-3-carboxylate | methyl 6-(3-pyridin-4-yl-...)
Show SMILES COC(=O)c1ccc(nc1)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C14H11N5O2/c1-21-14(20)10-2-3-11(16-8-10)13-17-12(18-19-13)9-4-6-15-7-5-9/h2-8H,1H3,(H,17,18,19)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/a7.222



AstraZeneca



Assay Description
The PGDS glutathione-S-transferase (GST) activity was measured by using MonoChloroBimane (MCB) as a chromogenic substrate. The assay was run at 384-w...


J Med Chem 51: 2178-86 (2008)


Article DOI: 10.1021/jm701509k
BindingDB Entry DOI: 10.7270/Q2Z036FR
More data for this
Ligand-Target Pair