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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Hydroxycarboxylic acid receptor 2' and Ligand = 'BDBM23518'   
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))
BDBM23518
PNG
(2-[3-(naphthalen-2-yl)propanamido]benzoic acid | B...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2ccccc2c1
Show InChI InChI=1S/C20H17NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-9,11,13H,10,12H2,(H,21,22)(H,23,24)
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Article
PubMed
n/an/a 140n/a 1.00E+3n/an/a7.423



Merck Research Laboratories



Assay Description
Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were ...


J Med Chem 50: 6303-6 (2007)


Article DOI: 10.1021/jm700942d
BindingDB Entry DOI: 10.7270/Q29S1PBG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23518
PNG
(2-[3-(naphthalen-2-yl)propanamido]benzoic acid | B...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2ccccc2c1
Show InChI InChI=1S/C20H17NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-9,11,13H,10,12H2,(H,21,22)(H,23,24)
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Article
PubMed
n/an/a 140n/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))
BDBM23518
PNG
(2-[3-(naphthalen-2-yl)propanamido]benzoic acid | B...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2ccccc2c1
Show InChI InChI=1S/C20H17NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-9,11,13H,10,12H2,(H,21,22)(H,23,24)
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Article
PubMed
n/an/an/an/a 1.00E+3n/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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23518
PNG
(2-[3-(naphthalen-2-yl)propanamido]benzoic acid | B...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2ccccc2c1
Show InChI InChI=1S/C20H17NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-9,11,13H,10,12H2,(H,21,22)(H,23,24)
PDB

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 500n/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