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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 = 'BDBM50277635'   
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))
BDBM50277635
PNG
(2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21
Show InChI InChI=1S/C19H15N3O4S/c23-12-6-7-15-16(9-12)27-19-20-11(10-22(15)19)5-8-17(24)21-14-4-2-1-3-13(14)18(25)26/h1-4,6-7,9-10,23H,5,8H2,(H,21,24)(H,25,26)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 11n/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))
BDBM50277635
PNG
(2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21
Show InChI InChI=1S/C19H15N3O4S/c23-12-6-7-15-16(9-12)27-19-20-11(10-22(15)19)5-8-17(24)21-14-4-2-1-3-13(14)18(25)26/h1-4,6-7,9-10,23H,5,8H2,(H,21,24)(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 120n/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