BDBM50332963 4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one::CHEMBL1629855
SMILES: Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
InChI Key: InChIKey=LYTVXCQQTLUEQR-UHFFFAOYSA-N
Data: 8 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Metabotropic glutamate receptor 2 (Homo sapiens (Human)) | BDBM50332963 (4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Partial displacement of [3H]LY354740 from recombinant rat mGluR2 | Bioorg Med Chem Lett 20: 6969-74 (2010) Article DOI: 10.1016/j.bmcl.2010.09.125 BindingDB Entry DOI: 10.7270/Q2X63N6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 2 (Homo sapiens (Human)) | BDBM50332963 (4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product... | Bioorg Med Chem Lett 20: 6969-74 (2010) Article DOI: 10.1016/j.bmcl.2010.09.125 BindingDB Entry DOI: 10.7270/Q2X63N6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 2 (Homo sapiens (Human)) | BDBM50332963 (4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Antagonist activity at human mGluR2 receptor expressed in CHO cells assessed as inhibition of GIRK current | Bioorg Med Chem Lett 20: 6969-74 (2010) Article DOI: 10.1016/j.bmcl.2010.09.125 BindingDB Entry DOI: 10.7270/Q2X63N6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 2 (Homo sapiens (Human)) | BDBM50332963 (4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Negative allosteric modulation of mGlu2 by cell-based assay | Bioorg Med Chem Lett 22: 3921-5 (2012) Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 3 (Homo sapiens (Human)) | BDBM50332963 (4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Negative allosteric modulation of mGlu3 receptor (unknown origin) | J Med Chem 56: 5208-12 (2013) Article DOI: 10.1021/jm400439t BindingDB Entry DOI: 10.7270/Q23F4R2J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 2 (Homo sapiens (Human)) | BDBM50332963 (4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Negative allosteric modulation of mGlu2 receptor (unknown origin) | J Med Chem 56: 5208-12 (2013) Article DOI: 10.1021/jm400439t BindingDB Entry DOI: 10.7270/Q23F4R2J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 3 (Homo sapiens (Human)) | BDBM50332963 (4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Negative allosteric modulation of mGlu3 by cell-based assay | Bioorg Med Chem Lett 22: 3921-5 (2012) Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50332963 (4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | Bioorg Med Chem Lett 20: 6969-74 (2010) Article DOI: 10.1016/j.bmcl.2010.09.125 BindingDB Entry DOI: 10.7270/Q2X63N6R | |||||||||||
More data for this Ligand-Target Pair |