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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Hydroxycarboxylic acid receptor 2' and Ligand = 'BDBM50277789'   
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


(Mus musculus)
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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PC sid
UniChem

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PubMed
n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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PubMed
n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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PC sid
UniChem

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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR10a receptor


Bioorg Med Chem Lett 20: 4472-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.041
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
More data for this
Ligand-Target Pair