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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 = 'BDBM50277674'   
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))
BDBM50277674
PNG
(2-(3-(6-hydroxy-4H-indeno[2,1-d]isoxazol-3-yl)prop...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1noc-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C20H16N2O5/c23-12-5-6-13-11(9-12)10-15-17(22-27-19(13)15)7-8-18(24)21-16-4-2-1-3-14(16)20(25)26/h1-6,9,23H,7-8,10H2,(H,21,24)(H,25,26)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 380n/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))
BDBM50277674
PNG
(2-(3-(6-hydroxy-4H-indeno[2,1-d]isoxazol-3-yl)prop...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1noc-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C20H16N2O5/c23-12-5-6-13-11(9-12)10-15-17(22-27-19(13)15)7-8-18(24)21-16-4-2-1-3-14(16)20(25)26/h1-6,9,23H,7-8,10H2,(H,21,24)(H,25,26)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/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