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6 similar compounds to monomer 50258141

Wt: 360.2
BDBM50258140
Wt: 396.2
BDBM50258142
Wt: 378.2
BDBM50258184
Wt: 378.2
BDBM50258185
Wt: 328.2
BDBM50258225
Wt: 396.2
BDBM50258227

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50258140,50258142,50258184,50258185,50258225,50258227   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50258140
PNG
(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Show SMILES FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis


J Med Chem 58: 7959-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00727
BindingDB Entry DOI: 10.7270/Q2MK6FQ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258140
PNG
(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Show SMILES FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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n/an/an/an/a 56n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50258140
PNG
(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Show SMILES FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis


J Med Chem 58: 7959-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00727
BindingDB Entry DOI: 10.7270/Q2MK6FQ4
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50258140
PNG
(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Show SMILES FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis


J Med Chem 58: 7959-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00727
BindingDB Entry DOI: 10.7270/Q2MK6FQ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258142
PNG
(2,7-difluoro-N-(4-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3nc(co3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H9F5N2O3/c19-8-1-3-12-10(5-8)15(11-6-9(20)2-4-13(11)28-12)16(26)25-17-24-14(7-27-17)18(21,22)23/h1-7,15H,(H,24,25,26)
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n/an/an/an/a 90n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258185
PNG
(CHEMBL522161 | rac-4-fluoro-N-(4-(trifluoromethyl)...)
Show SMILES Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc12
Show InChI InChI=1S/C18H10F4N2O3/c19-11-6-3-5-10-14(9-4-1-2-7-12(9)27-15(10)11)16(25)24-17-23-13(8-26-17)18(20,21)22/h1-8,14H,(H,23,24,25)
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n/an/an/an/a 102n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258225
PNG
(2,7-difluoro-N-(oxazol-2-yl)-9H-xanthene-9-carboxa...)
Show SMILES Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3ncco3)c2c1
Show InChI InChI=1S/C17H10F2N2O3/c18-9-1-3-13-11(7-9)15(16(22)21-17-20-5-6-23-17)12-8-10(19)2-4-14(12)24-13/h1-8,15H,(H,20,21,22)
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n/an/an/an/a 124n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258225
PNG
(2,7-difluoro-N-(oxazol-2-yl)-9H-xanthene-9-carboxa...)
Show SMILES Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3ncco3)c2c1
Show InChI InChI=1S/C17H10F2N2O3/c18-9-1-3-13-11(7-9)15(16(22)21-17-20-5-6-23-17)12-8-10(19)2-4-14(12)24-13/h1-8,15H,(H,20,21,22)
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n/an/an/an/a 140n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258227
PNG
(4,5-difluoro-N-(4-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3cccc(F)c3Oc12
Show InChI InChI=1S/C18H9F5N2O3/c19-10-5-1-3-8-13(9-4-2-6-11(20)15(9)28-14(8)10)16(26)25-17-24-12(7-27-17)18(21,22)23/h1-7,13H,(H,24,25,26)
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n/an/an/an/a 161n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258140
PNG
(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Show SMILES FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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n/an/an/an/a 202n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258184
PNG
(CHEMBL492979 | rac-3-fluoro-N-(4-(trifluoromethyl)...)
Show SMILES Fc1ccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc2c1
Show InChI InChI=1S/C18H10F4N2O3/c19-9-5-6-11-13(7-9)27-12-4-2-1-3-10(12)15(11)16(25)24-17-23-14(8-26-17)18(20,21)22/h1-8,15H,(H,23,24,25)
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n/an/an/an/a 260n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258185
PNG
(CHEMBL522161 | rac-4-fluoro-N-(4-(trifluoromethyl)...)
Show SMILES Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc12
Show InChI InChI=1S/C18H10F4N2O3/c19-11-6-3-5-10-14(9-4-1-2-7-12(9)27-15(10)11)16(25)24-17-23-13(8-26-17)18(20,21)22/h1-8,14H,(H,23,24,25)
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n/an/an/an/a 19n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258184
PNG
(CHEMBL492979 | rac-3-fluoro-N-(4-(trifluoromethyl)...)
Show SMILES Fc1ccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc2c1
Show InChI InChI=1S/C18H10F4N2O3/c19-9-5-6-11-13(7-9)27-12-4-2-1-3-10(12)15(11)16(25)24-17-23-14(8-26-17)18(20,21)22/h1-8,15H,(H,23,24,25)
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n/an/an/an/a 40n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258142
PNG
(2,7-difluoro-N-(4-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3nc(co3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H9F5N2O3/c19-8-1-3-12-10(5-8)15(11-6-9(20)2-4-13(11)28-12)16(26)25-17-24-14(7-27-17)18(21,22)23/h1-7,15H,(H,24,25,26)
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n/an/an/an/a 44n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50258227
PNG
(4,5-difluoro-N-(4-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3cccc(F)c3Oc12
Show InChI InChI=1S/C18H9F5N2O3/c19-10-5-1-3-8-13(9-4-2-6-11(20)15(9)28-14(8)10)16(26)25-17-24-12(7-27-17)18(21,22)23/h1-7,13H,(H,24,25,26)
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n/an/an/an/a 47n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50258140
PNG
(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Show SMILES FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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n/an/a 600n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis


J Med Chem 58: 7959-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00727
BindingDB Entry DOI: 10.7270/Q2MK6FQ4
More data for this
Ligand-Target Pair