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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 = 'BDBM50342521'   
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))
BDBM50342521
PNG
((R)-2-(3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol...)
Show SMILES C[C@@H]1CCC(C(O)=O)=C(C1)NC(=O)CCc1nc(no1)-c1ccc(F)cn1 |r,c:7|
Show InChI InChI=1S/C18H19FN4O4/c1-10-2-4-12(18(25)26)14(8-10)21-15(24)6-7-16-22-17(23-27-16)13-5-3-11(19)9-20-13/h3,5,9-10H,2,4,6-8H2,1H3,(H,21,24)(H,25,26)/t10-/m1/s1
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PC sid
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Article
PubMed
n/an/a 21n/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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342521
PNG
((R)-2-(3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol...)
Show SMILES C[C@@H]1CCC(C(O)=O)=C(C1)NC(=O)CCc1nc(no1)-c1ccc(F)cn1 |r,c:7|
Show InChI InChI=1S/C18H19FN4O4/c1-10-2-4-12(18(25)26)14(8-10)21-15(24)6-7-16-22-17(23-27-16)13-5-3-11(19)9-20-13/h3,5,9-10H,2,4,6-8H2,1H3,(H,21,24)(H,25,26)/t10-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 410n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109A receptor expressed in CHO-K1 cells after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair