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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 = 'BDBM50277788'   
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)
BDBM50277788
PNG
(5-(3-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Fc1cccc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11FN6/c14-9-3-1-2-7(4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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UniProtKB/SwissProt

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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 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))
BDBM50277788
PNG
(5-(3-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Fc1cccc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11FN6/c14-9-3-1-2-7(4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 140n/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