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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hydroxycarboxylic acid receptor 2' and Ligand = 'BDBM50277712'   
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)
BDBM50277712
PNG
(3-(1H-tetrazol-5-yl)-5-o-tolyl-1,4,5,6-tetrahydroc...)
Show SMILES Cc1ccccc1C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C14H14N6/c1-8-4-2-3-5-10(8)9-6-11-12(7-9)15-16-13(11)14-17-19-20-18-14/h2-5,9H,6-7H2,1H3,(H,15,16)(H,17,18,19,20)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.20E+3n/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
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277712
PNG
(3-(1H-tetrazol-5-yl)-5-o-tolyl-1,4,5,6-tetrahydroc...)
Show SMILES Cc1ccccc1C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C14H14N6/c1-8-4-2-3-5-10(8)9-6-11-12(7-9)15-16-13(11)14-17-19-20-18-14/h2-5,9H,6-7H2,1H3,(H,15,16)(H,17,18,19,20)
PDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.70E+3n/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
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair