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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 = 'BDBM50344183'   
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))
BDBM50344183
PNG
(2-((R)-7-((S)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FN2O3/c1-15(16-7-9-17(25)10-8-16)24(30)26(2)18-11-12-22-20(13-23(28)29)19-5-3-4-6-21(19)27(22)14-18/h3-10,15,18H,11-14H2,1-2H3,(H,28,29)/t15-,18+/m0/s1
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PC sid
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Similars

Article
PubMed
39n/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))
BDBM50344183
PNG
(2-((R)-7-((S)-2-(4-fluorophenyl)-N-methylpropanami...)
Show SMILES C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FN2O3/c1-15(16-7-9-17(25)10-8-16)24(30)26(2)18-11-12-22-20(13-23(28)29)19-5-3-4-6-21(19)27(22)14-18/h3-10,15,18H,11-14H2,1-2H3,(H,28,29)/t15-,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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