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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D Synthase' and Ligand = 'BDBM50084157'   
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))
BDBM50084157
PNG
(CHEMBL3425955)
Show SMILES O=C(Nc1cncc(c1)-c1cccc2[nH]ccc12)[C@@H]1CCC(=O)N1 |r|
Show InChI InChI=1/C18H16N4O2/c23-17-5-4-16(22-17)18(24)21-12-8-11(9-19-10-12)13-2-1-3-15-14(13)6-7-20-15/h1-3,6-10,16,20H,4-5H2,(H,21,24)(H,22,23)/t16-/s2
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PC cid
PC sid
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Article
PubMed
n/an/a 35n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins...


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


Article DOI: 10.1016/j.bmcl.2015.04.065
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50084157
PNG
(CHEMBL3425955)
Show SMILES O=C(Nc1cncc(c1)-c1cccc2[nH]ccc12)[C@@H]1CCC(=O)N1 |r|
Show InChI InChI=1/C18H16N4O2/c23-17-5-4-16(22-17)18(24)21-12-8-11(9-19-10-12)13-2-1-3-15-14(13)6-7-20-15/h1-3,6-10,16,20H,4-5H2,(H,21,24)(H,22,23)/t16-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 300n/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
More data for this
Ligand-Target Pair