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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 = 'BDBM50277675'   
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))
BDBM50277675
PNG
(2-(3-(6-hydroxy-1-methyl-1,4-dihydroindeno[1,2-c]p...)
Show SMILES Cn1nc(CCC(=O)Nc2ccccc2C(O)=O)c2Cc3cc(O)ccc3-c12
Show InChI InChI=1S/C21H19N3O4/c1-24-20-14-7-6-13(25)10-12(14)11-16(20)18(23-24)8-9-19(26)22-17-5-3-2-4-15(17)21(27)28/h2-7,10,25H,8-9,11H2,1H3,(H,22,26)(H,27,28)
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PC cid
PC sid
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Article
PubMed
n/an/a 2.10E+3n/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))
BDBM50277675
PNG
(2-(3-(6-hydroxy-1-methyl-1,4-dihydroindeno[1,2-c]p...)
Show SMILES Cn1nc(CCC(=O)Nc2ccccc2C(O)=O)c2Cc3cc(O)ccc3-c12
Show InChI InChI=1S/C21H19N3O4/c1-24-20-14-7-6-13(25)10-12(14)11-16(20)18(23-24)8-9-19(26)22-17-5-3-2-4-15(17)21(27)28/h2-7,10,25H,8-9,11H2,1H3,(H,22,26)(H,27,28)
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 7.30E+3n/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