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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Hydroxycarboxylic acid receptor 2' and Ligand = 'BDBM50325899'   
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
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50325899
PNG
(2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-on...)
Show SMILES FC(F)(F)c1nc2ncccc2c(=O)[nH]1
Show InChI InChI=1S/C8H4F3N3O/c9-8(10,11)7-13-5-4(6(15)14-7)2-1-3-12-5/h1-3H,(H,12,13,14,15)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat GPR109A


Bioorg Med Chem Lett 20: 5426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.108
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50325899
PNG
(2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-on...)
Show SMILES FC(F)(F)c1nc2ncccc2c(=O)[nH]1
Show InChI InChI=1S/C8H4F3N3O/c9-8(10,11)7-13-5-4(6(15)14-7)2-1-3-12-5/h1-3H,(H,12,13,14,15)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human GPR109A


Bioorg Med Chem Lett 20: 5426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.108
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50325899
PNG
(2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-on...)
Show SMILES FC(F)(F)c1nc2ncccc2c(=O)[nH]1
Show InChI InChI=1S/C8H4F3N3O/c9-8(10,11)7-13-5-4(6(15)14-7)2-1-3-12-5/h1-3H,(H,12,13,14,15)
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109A receptor assessed as GTPgammaS binding


Bioorg Med Chem Lett 20: 5426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.108
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50325899
PNG
(2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-on...)
Show SMILES FC(F)(F)c1nc2ncccc2c(=O)[nH]1
Show InChI InChI=1S/C8H4F3N3O/c9-8(10,11)7-13-5-4(6(15)14-7)2-1-3-12-5/h1-3H,(H,12,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 60n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109A receptor assessed as GTPgammaS binding


Bioorg Med Chem Lett 20: 5426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.108
More data for this
Ligand-Target Pair