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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 = 'BDBM50035078'   
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))
BDBM50035078
PNG
(CHEMBL3338286)
Show SMILES Cc1nnc(C2CC2)n1Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(F)cc12)C(F)(F)F
Show InChI InChI=1S/C24H20F4N4O2/c1-13-29-30-23(14-2-3-14)31(13)12-16-8-17(24(26,27)28)4-7-20(16)32-11-15(9-22(33)34)19-6-5-18(25)10-21(19)32/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,33,34)
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PC cid
PC sid
UniChem
Article
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n/an/a 7n/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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50035078
PNG
(CHEMBL3338286)
Show SMILES Cc1nnc(C2CC2)n1Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(F)cc12)C(F)(F)F
Show InChI InChI=1S/C24H20F4N4O2/c1-13-29-30-23(14-2-3-14)31(13)12-16-8-17(24(26,27)28)4-7-20(16)32-11-15(9-22(33)34)19-6-5-18(25)10-21(19)32/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/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