BDBM50278662 CHEMBL4172540
SMILES: C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1
InChI Key: InChIKey=AUMJXOXUSGIUCB-HNNXBMFYSA-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 |
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Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat)) | BDBM50278662 (CHEMBL4172540) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Negative allosteric modulation of rat mGlu2 receptor expressed in HEK293 cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calc... | ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50278662 (CHEMBL4172540) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis | ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat)) | BDBM50278662 (CHEMBL4172540) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calciu... | ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor (Rattus norvegicus (Rat)) | BDBM50278662 (CHEMBL4172540) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as increase in glutamate induced-calcium mobilization preinc... | ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat)) | BDBM50278662 (CHEMBL4172540) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Curated by ChEMBL | Assay Description Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux preincuba... | Bioorg Med Chem Lett 29: 2670-2674 (2019) Article DOI: 10.1016/j.bmcl.2019.07.030 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat)) | BDBM50278662 (CHEMBL4172540) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calciu... | ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50278662 (CHEMBL4172540) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis | ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50278662 (CHEMBL4172540) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis | ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat)) | BDBM50278662 (CHEMBL4172540) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Curated by ChEMBL | Assay Description Negative allosteric modulation of rat mGlu3R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil... | Bioorg Med Chem Lett 29: 2670-2674 (2019) Article DOI: 10.1016/j.bmcl.2019.07.030 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50278662 (CHEMBL4172540) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis | ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ | |||||||||||
More data for this Ligand-Target Pair |