BDBM50169542 CHEMBL3804846
SMILES: Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
InChI Key: InChIKey=DZAJAXMVYWGGFN-UHFFFAOYSA-N
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 5 (Homo sapiens (Human)) | BDBM50169542 (CHEMBL3804846) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development Curated by ChEMBL | Assay Description Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis | Bioorg Med Chem Lett 26: 4165-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.065 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 5 (Homo sapiens (Human)) | BDBM50169542 (CHEMBL3804846) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method | ACS Med Chem Lett 7: 289-93 (2016) BindingDB Entry DOI: 10.7270/Q28G8NMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50169542 (CHEMBL3804846) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Inhibition of human ERG by patch clamp method | ACS Med Chem Lett 7: 289-93 (2016) BindingDB Entry DOI: 10.7270/Q28G8NMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 5 (Homo sapiens (Human)) | BDBM50169542 (CHEMBL3804846) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development Curated by ChEMBL | Assay Description Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated... | Bioorg Med Chem Lett 26: 4165-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.065 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 5 (Homo sapiens (Human)) | BDBM50169542 (CHEMBL3804846) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys... | ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor (Rattus norvegicus (Rat)) | BDBM50169542 (CHEMBL3804846) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis | ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 5 (Homo sapiens (Human)) | BDBM50169542 (CHEMBL3804846) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development Curated by ChEMBL | Assay Description Agonist activity at human mGluR5A transfected in HEK293 cells assessed as induction of calcium release by FLIPR assay | Bioorg Med Chem Lett 26: 4165-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.065 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 5 (Homo sapiens (Human)) | BDBM50169542 (CHEMBL3804846) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Agonist activity at human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as induction of Ca2+ re... | ACS Med Chem Lett 7: 289-93 (2016) BindingDB Entry DOI: 10.7270/Q28G8NMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 5 (Homo sapiens (Human)) | BDBM50169542 (CHEMBL3804846) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Positive allosteric modulation of human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as potent... | ACS Med Chem Lett 7: 289-93 (2016) BindingDB Entry DOI: 10.7270/Q28G8NMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50169542 (CHEMBL3804846) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Inhibition of progesterone receptor (unknown origin) | ACS Med Chem Lett 7: 289-93 (2016) BindingDB Entry DOI: 10.7270/Q28G8NMW | |||||||||||
More data for this Ligand-Target Pair |