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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 = 'BDBM50264233'   
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))
BDBM50264233
PNG
(2-(3-(6-aminonaphthalen-2-yl)propanamido)benzoic a...)
Show SMILES Nc1ccc2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c1
Show InChI InChI=1S/C20H18N2O3/c21-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)22-18-4-2-1-3-17(18)20(24)25/h1-5,7-9,11-12H,6,10,21H2,(H,22,23)(H,24,25)
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Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 4963-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.030
BindingDB Entry DOI: 10.7270/Q2V124M6
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50264233
PNG
(2-(3-(6-aminonaphthalen-2-yl)propanamido)benzoic a...)
Show SMILES Nc1ccc2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c1
Show InChI InChI=1S/C20H18N2O3/c21-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)22-18-4-2-1-3-17(18)20(24)25/h1-5,7-9,11-12H,6,10,21H2,(H,22,23)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 540n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assay


Bioorg Med Chem Lett 18: 4963-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.030
BindingDB Entry DOI: 10.7270/Q2V124M6
More data for this
Ligand-Target Pair