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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 = 'BDBM50227780'   
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))
BDBM50227780
PNG
(2-(1-(quinoxalin-2-yl)piperazine-4-carboxamido)ben...)
Show SMILES OC(=O)c1ccccc1NC(=O)N1CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C20H19N5O3/c26-19(27)14-5-1-2-6-15(14)23-20(28)25-11-9-24(10-12-25)18-13-21-16-7-3-4-8-17(16)22-18/h1-8,13H,9-12H2,(H,23,28)(H,26,27)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A


Bioorg Med Chem Lett 17: 6723-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.055
BindingDB Entry DOI: 10.7270/Q2R2114Q
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50227780
PNG
(2-(1-(quinoxalin-2-yl)piperazine-4-carboxamido)ben...)
Show SMILES OC(=O)c1ccccc1NC(=O)N1CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C20H19N5O3/c26-19(27)14-5-1-2-6-15(14)23-20(28)25-11-9-24(10-12-25)18-13-21-16-7-3-4-8-17(16)22-18/h1-8,13H,9-12H2,(H,23,28)(H,26,27)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR106A by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 6723-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.055
BindingDB Entry DOI: 10.7270/Q2R2114Q
More data for this
Ligand-Target Pair