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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50200263'   
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 D2 receptor 2


(Homo sapiens (Human))
BDBM50200263
PNG
(CHEMBL217709 | [2-({[(2,4-dichlorophenoxy)acetyl]h...)
Show SMILES OC(=O)COc1ccccc1C=NNC(=O)COc1ccc(Cl)cc1Cl |w:12.13|
Show InChI InChI=1S/C17H14Cl2N2O5/c18-12-5-6-15(13(19)7-12)25-9-16(22)21-20-8-11-3-1-2-4-14(11)26-10-17(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 555n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50200263
PNG
(CHEMBL217709 | [2-({[(2,4-dichlorophenoxy)acetyl]h...)
Show SMILES OC(=O)COc1ccccc1C=NNC(=O)COc1ccc(Cl)cc1Cl |w:12.13|
Show InChI InChI=1S/C17H14Cl2N2O5/c18-12-5-6-15(13(19)7-12)25-9-16(22)21-20-8-11-3-1-2-4-14(11)26-10-17(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.32E+3n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair