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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 = 'BDBM50277752'   
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)
BDBM50277752
PNG
(5-(2,3-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1cccc(C2Cc3[nH]nc(c3C2)-c2nnn[nH]2)c1F
Show InChI InChI=1S/C13H10F2N6/c14-9-3-1-2-7(11(9)15)6-4-8-10(5-6)16-17-12(8)13-18-20-21-19-13/h1-3,6H,4-5H2,(H,16,17)(H,18,19,20,21)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 90n/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))
BDBM50277752
PNG
(5-(2,3-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1cccc(C2Cc3[nH]nc(c3C2)-c2nnn[nH]2)c1F
Show InChI InChI=1S/C13H10F2N6/c14-9-3-1-2-7(11(9)15)6-4-8-10(5-6)16-17-12(8)13-18-20-21-19-13/h1-3,6H,4-5H2,(H,16,17)(H,18,19,20,21)
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