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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 = 'BDBM50309403'   
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))
BDBM50309403
PNG
(2-(4-(4-fluorophenyl)-2-((2'-methoxybiphenyl-2-yl)...)
Show SMILES COc1ccccc1-c1ccccc1Cc1nc(c(CC(O)=O)s1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20FNO3S/c1-30-21-9-5-4-8-20(21)19-7-3-2-6-17(19)14-23-27-25(22(31-23)15-24(28)29)16-10-12-18(26)13-11-16/h2-13H,14-15H2,1H3,(H,28,29)
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Article
PubMed
n/an/a 170n/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 african green monkey COS7 cells


Bioorg Med Chem Lett 20: 1177-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.008
BindingDB Entry DOI: 10.7270/Q25T3KMP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309403
PNG
(2-(4-(4-fluorophenyl)-2-((2'-methoxybiphenyl-2-yl)...)
Show SMILES COc1ccccc1-c1ccccc1Cc1nc(c(CC(O)=O)s1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20FNO3S/c1-30-21-9-5-4-8-20(21)19-7-3-2-6-17(19)14-23-27-25(22(31-23)15-24(28)29)16-10-12-18(26)13-11-16/h2-13H,14-15H2,1H3,(H,28,29)
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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/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: 1177-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.008
BindingDB Entry DOI: 10.7270/Q25T3KMP
More data for this
Ligand-Target Pair