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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 = 'BDBM50035091'   
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))
BDBM50035091
PNG
(CHEMBL3338299)
Show SMILES Cc1ccc2c(CC(O)=O)cn(-c3ccc(cc3Cc3c(noc3C3CC3)C3CC3)C(F)(F)F)c2n1
Show InChI InChI=1S/C27H24F3N3O3/c1-14-2-8-20-18(12-23(34)35)13-33(26(20)31-14)22-9-7-19(27(28,29)30)10-17(22)11-21-24(15-3-4-15)32-36-25(21)16-5-6-16/h2,7-10,13,15-16H,3-6,11-12H2,1H3,(H,34,35)
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PC sid
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...


Bioorg Med Chem Lett 24: 5127-33 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.028
BindingDB Entry DOI: 10.7270/Q27P911Z
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50035091
PNG
(CHEMBL3338299)
Show SMILES Cc1ccc2c(CC(O)=O)cn(-c3ccc(cc3Cc3c(noc3C3CC3)C3CC3)C(F)(F)F)c2n1
Show InChI InChI=1S/C27H24F3N3O3/c1-14-2-8-20-18(12-23(34)35)13-33(26(20)31-14)22-9-7-19(27(28,29)30)10-17(22)11-21-24(15-3-4-15)32-36-25(21)16-5-6-16/h2,7-10,13,15-16H,3-6,11-12H2,1H3,(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescen...


Bioorg Med Chem Lett 24: 5127-33 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.028
BindingDB Entry DOI: 10.7270/Q27P911Z
More data for this
Ligand-Target Pair