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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 = 'BDBM50309272'   
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))
BDBM50309272
PNG
(2-(4-(4-chlorophenyl)-2-(1,2-diphenylethyl)thiazol...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20ClNO2S/c26-20-13-11-19(12-14-20)24-22(16-23(28)29)30-25(27-24)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,28,29)
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Article
PubMed
n/an/a 56n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309272
PNG
(2-(4-(4-chlorophenyl)-2-(1,2-diphenylethyl)thiazol...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20ClNO2S/c26-20-13-11-19(12-14-20)24-22(16-23(28)29)30-25(27-24)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 510n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK285-7 cells assessed as inhibition of beta arrestin translocation by bioluminescence reso...


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair