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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 = 'BDBM50035021'   
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))
BDBM50035021
PNG
(CHEMBL3343119)
Show SMILES CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)C1CCC1
Show InChI InChI=1S/C25H26F3N3O3/c1-3-30(24(34)16-5-4-6-16)13-18-11-19(25(26,27)28)8-10-21(18)31-14-17(12-22(32)33)20-9-7-15(2)29-23(20)31/h7-11,14,16H,3-6,12-13H2,1-2H3,(H,32,33)
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PC cid
PC sid
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Article
PubMed
n/an/a 8.5n/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 preincubated for 10 mins wi...


Bioorg Med Chem Lett 24: 5123-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.029
BindingDB Entry DOI: 10.7270/Q2CF9RRW
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50035021
PNG
(CHEMBL3343119)
Show SMILES CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)C1CCC1
Show InChI InChI=1S/C25H26F3N3O3/c1-3-30(24(34)16-5-4-6-16)13-18-11-19(25(26,27)28)8-10-21(18)31-14-17(12-22(32)33)20-9-7-15(2)29-23(20)31/h7-11,14,16H,3-6,12-13H2,1-2H3,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...


Bioorg Med Chem Lett 24: 5123-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.029
BindingDB Entry DOI: 10.7270/Q2CF9RRW
More data for this
Ligand-Target Pair