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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 = 'BDBM50335956'   
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))
BDBM50335956
PNG
(2-(4'-acetamido-2'-(((benzyloxycarbonyl)(ethyl)ami...)
Show SMILES CCN(Cc1cc(NC(C)=O)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H30N2O6/c1-4-30(28(34)36-18-20-8-6-5-7-9-20)17-22-16-23(29-19(2)31)11-12-24(22)25-14-21(15-27(32)33)10-13-26(25)35-3/h5-14,16H,4,15,17-18H2,1-3H3,(H,29,31)(H,32,33)
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PC cid
PC sid
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1036-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50335956
PNG
(2-(4'-acetamido-2'-(((benzyloxycarbonyl)(ethyl)ami...)
Show SMILES CCN(Cc1cc(NC(C)=O)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H30N2O6/c1-4-30(28(34)36-18-20-8-6-5-7-9-20)17-22-16-23(29-19(2)31)11-12-24(22)25-14-21(15-27(32)33)10-13-26(25)35-3/h5-14,16H,4,15,17-18H2,1-3H3,(H,29,31)(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



USA.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA


Bioorg Med Chem Lett 21: 1036-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT
More data for this
Ligand-Target Pair