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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 = 'BDBM50227769'   
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))
BDBM50227769
PNG
(2-(1-(6-aminoquinoxalin-2-yl)piperazine-4-carboxam...)
Show SMILES Nc1ccc2nc(cnc2c1)N1CCN(CC1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C20H20N6O3/c21-13-5-6-16-17(11-13)22-12-18(23-16)25-7-9-26(10-8-25)20(29)24-15-4-2-1-3-14(15)19(27)28/h1-6,11-12H,7-10,21H2,(H,24,29)(H,27,28)
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Article
PubMed
n/an/a 6.70E+3n/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))
BDBM50227769
PNG
(2-(1-(6-aminoquinoxalin-2-yl)piperazine-4-carboxam...)
Show SMILES Nc1ccc2nc(cnc2c1)N1CCN(CC1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C20H20N6O3/c21-13-5-6-16-17(11-13)22-12-18(23-16)25-7-9-26(10-8-25)20(29)24-15-4-2-1-3-14(15)19(27)28/h1-6,11-12H,7-10,21H2,(H,24,29)(H,27,28)
PDB

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KEGG

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.70E+4n/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