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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 = 'BDBM50344172'   
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))
BDBM50344172
PNG
((R)-2-(7-(N-methylcyclopentanecarboxamido)-6,7,8,9...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCCC1 |r|
Show InChI InChI=1S/C21H26N2O3/c1-22(21(26)14-6-2-3-7-14)15-10-11-19-17(12-20(24)25)16-8-4-5-9-18(16)23(19)13-15/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,24,25)/t15-/m1/s1
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Article
PubMed
240n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50344172
PNG
((R)-2-(7-(N-methylcyclopentanecarboxamido)-6,7,8,9...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCCC1 |r|
Show InChI InChI=1S/C21H26N2O3/c1-22(21(26)14-6-2-3-7-14)15-10-11-19-17(12-20(24)25)16-8-4-5-9-18(16)23(19)13-15/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,24,25)/t15-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair