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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 = 'BDBM50335960'   
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))
BDBM50335960
PNG
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(C)(C)O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H33NO6/c1-5-30(28(33)36-19-20-9-7-6-8-10-20)18-22-17-23(29(2,3)34)12-13-24(22)25-15-21(16-27(31)32)11-14-26(25)35-4/h6-15,17,34H,5,16,18-19H2,1-4H3,(H,31,32)
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PC sid
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Similars

Article
PubMed
n/an/a 12n/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))
BDBM50335960
PNG
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...)
Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(C)(C)O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H33NO6/c1-5-30(28(33)36-19-20-9-7-6-8-10-20)18-22-17-23(29(2,3)34)12-13-24(22)25-15-21(16-27(31)32)11-14-26(25)35-4/h6-15,17,34H,5,16,18-19H2,1-4H3,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 24n/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