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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 = 'BDBM50298003'   
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))
BDBM50298003
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-3-(1H-tetrazol-5-yl...)
Show SMILES Fc1ncccc1C1CCc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C13H12FN7/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(17-16-10)13-18-20-21-19-13/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19,20,21)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50298003
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-3-(1H-tetrazol-5-yl...)
Show SMILES Fc1ncccc1C1CCc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C13H12FN7/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(17-16-10)13-18-20-21-19-13/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human niacin receptor expressed in CKO-K1 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
More data for this
Ligand-Target Pair