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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50277633   
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))
BDBM50277633
PNG
(2-(3-(7-hydroxy-[1,2,3]triazolo[1,5-a]quinolin-3-y...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nnn2c1ccc1cc(O)ccc21
Show InChI InChI=1S/C20H16N4O4/c25-13-6-9-17-12(11-13)5-8-18-16(22-23-24(17)18)7-10-19(26)21-15-4-2-1-3-14(15)20(27)28/h1-6,8-9,11,25H,7,10H2,(H,21,26)(H,27,28)
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PC sid
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Article
PubMed
n/an/a 8n/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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50277633
PNG
(2-(3-(7-hydroxy-[1,2,3]triazolo[1,5-a]quinolin-3-y...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nnn2c1ccc1cc(O)ccc21
Show InChI InChI=1S/C20H16N4O4/c25-13-6-9-17-12(11-13)5-8-18-16(22-23-24(17)18)7-10-19(26)21-15-4-2-1-3-14(15)20(27)28/h1-6,8-9,11,25H,7,10H2,(H,21,26)(H,27,28)
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate


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