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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 = 'BDBM50277677'   
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))
BDBM50277677
PNG
(2-(3-(3H-benzo[e]indazol-7-yl)propanamido)benzoic ...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2c3c[nH]nc3ccc2c1
Show InChI InChI=1S/C21H17N3O3/c25-20(23-18-4-2-1-3-16(18)21(26)27)10-6-13-5-8-15-14(11-13)7-9-19-17(15)12-22-24-19/h1-5,7-9,11-12H,6,10H2,(H,22,24)(H,23,25)(H,26,27)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277677
PNG
(2-(3-(3H-benzo[e]indazol-7-yl)propanamido)benzoic ...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2c3c[nH]nc3ccc2c1
Show InChI InChI=1S/C21H17N3O3/c25-20(23-18-4-2-1-3-16(18)21(26)27)10-6-13-5-8-15-14(11-13)7-9-19-17(15)12-22-24-19/h1-5,7-9,11-12H,6,10H2,(H,22,24)(H,23,25)(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 270n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS binding assay


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair