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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 = 'BDBM50084261'   
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))
BDBM50084261
PNG
(CHEMBL3425962)
Show SMILES CN(C)c1ccc(cn1)C(=O)NC1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C15H21F3N4O/c1-21(2)13-4-3-11(9-19-13)14(23)20-12-5-7-22(8-6-12)10-15(16,17)18/h3-4,9,12H,5-8,10H2,1-2H3,(H,20,23)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/a 1.40E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as re...


Bioorg Med Chem Lett 25: 2496-500 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.065
BindingDB Entry DOI: 10.7270/Q2J9683M
More data for this
Ligand-Target Pair