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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 = 'BDBM50325924'   
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


(Homo sapiens (Human))
BDBM50325924
PNG
(2-((3-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)
Show SMILES Clc1cccc(CCOCc2nc3ncccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C16H14ClN3O2/c17-12-4-1-3-11(9-12)6-8-22-10-14-19-15-13(16(21)20-14)5-2-7-18-15/h1-5,7,9H,6,8,10H2,(H,18,19,20,21)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/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


(Rattus norvegicus)
BDBM50325924
PNG
(2-((3-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)
Show SMILES Clc1cccc(CCOCc2nc3ncccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C16H14ClN3O2/c17-12-4-1-3-11(9-12)6-8-22-10-14-19-15-13(16(21)20-14)5-2-7-18-15/h1-5,7,9H,6,8,10H2,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 640n/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))
BDBM50325924
PNG
(2-((3-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)
Show SMILES Clc1cccc(CCOCc2nc3ncccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C16H14ClN3O2/c17-12-4-1-3-11(9-12)6-8-22-10-14-19-15-13(16(21)20-14)5-2-7-18-15/h1-5,7,9H,6,8,10H2,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 340n/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)
BDBM50325924
PNG
(2-((3-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)
Show SMILES Clc1cccc(CCOCc2nc3ncccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C16H14ClN3O2/c17-12-4-1-3-11(9-12)6-8-22-10-14-19-15-13(16(21)20-14)5-2-7-18-15/h1-5,7,9H,6,8,10H2,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 140n/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