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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D Synthase' and Ligand = 'BDBM50300127'   
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))
BDBM50300127
PNG
(CHEMBL567059 | NSC-4502 | phenyl(thiophen-2-yl)met...)
Show SMILES O=C(c1cccs1)c1ccccc1
Show InChI InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
PDB
MMDB

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Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation


Eur J Med Chem 45: 447-54 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.025
BindingDB Entry DOI: 10.7270/Q2HD7VQT
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50300127
PNG
(CHEMBL567059 | NSC-4502 | phenyl(thiophen-2-yl)met...)
Show SMILES O=C(c1cccs1)c1ccccc1
Show InChI InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
PDB
MMDB

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Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
BindingDB Entry DOI: 10.7270/Q21J99Z4
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50300127
PNG
(CHEMBL567059 | NSC-4502 | phenyl(thiophen-2-yl)met...)
Show SMILES O=C(c1cccs1)c1ccccc1
Show InChI InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.35E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM


J Med Chem 53: 5536-48 (2010)


Article DOI: 10.1021/jm100194a
BindingDB Entry DOI: 10.7270/Q21J99Z4
More data for this
Ligand-Target Pair