BDBM50258140 CHEMBL521982::N-(4-(trifluoromethyl)oxazol-2-yl)-9H-xanthene-9-carboxamide

SMILES FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1

InChI Key InChIKey=GSGDLBUOSWGZER-UHFFFAOYSA-N

Data  8 IC50  8 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50258140   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 1(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataEC50:  141nMAssay Description:Positive allosteric modulation of human mGlu1 receptor assessed as glutamate EC50 at 10 uM (Rvb = 983.4 nM)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 1(RAT)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataEC50:  202nMAssay Description:Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiologyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 1(RAT)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataEC50:  56nMAssay Description:Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 1(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataEC50:  246nMAssay Description:Positive allosteric modulation of human mGlu1 receptor expressed in wild type T-Rex 293 cells assessed as increase in glutamate-induced calcium mobil...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 1(RAT)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataEC50:  275nMAssay Description:Positive allosteric modulation of rat mGlu1 receptor assessed as increase in glutamate-induced calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 1(RAT)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataEC50:  277nMAssay Description:Positive allosteric modulation of rat mGlu1 receptor assessed as increase in glutamate-induced calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 1(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataEC50:  141nMAssay Description:Positive allosteric modulation of human mGlu1 receptor assessed as glutamate pEC50 at 10 uM (Rvb = 6.007 +/- 0.076 No_unit)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 1(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataEC50:  245nMAssay Description:Positive allosteric modulation of human mGlu1 receptor expressed in wild type T-Rex 293 cells assessed as increase in glutamate-induced calcium mobil...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataIC50:  600nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50258140(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Affinity DataIC50:  600nMAssay Description:Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed