BDBM50358179 CHEMBL1921961
SMILES: Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl
InChI Key: InChIKey=XWFPWABBHYLIQP-TXEJJXNPSA-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 4 (mGlu4) (Rattus norvegicus (Rat)) | BDBM50358179 (CHEMBL1921961) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 376 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Positive allosteric modulator activity at rat mGlu4 receptor by thallium flux assay | J Med Chem 54: 7639-47 (2011) Article DOI: 10.1021/jm200956q BindingDB Entry DOI: 10.7270/Q25Q4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50358179 (CHEMBL1921961) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL 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 Medical Center Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using acetaminophen as substrate | J Med Chem 54: 7639-47 (2011) Article DOI: 10.1021/jm200956q BindingDB Entry DOI: 10.7270/Q25Q4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50358179 (CHEMBL1921961) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate | J Med Chem 54: 7639-47 (2011) Article DOI: 10.1021/jm200956q BindingDB Entry DOI: 10.7270/Q25Q4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50358179 (CHEMBL1921961) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL 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 Medical Center Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate | J Med Chem 54: 7639-47 (2011) Article DOI: 10.1021/jm200956q BindingDB Entry DOI: 10.7270/Q25Q4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 7 (mGlu7) (Rattus norvegicus (Rat)) | BDBM50358179 (CHEMBL1921961) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Positive allosteric modulator activity at rat mGlu7 receptor at 10 uM by thallium flux assay | J Med Chem 54: 7639-47 (2011) Article DOI: 10.1021/jm200956q BindingDB Entry DOI: 10.7270/Q25Q4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 4 (mGluR4) (Homo sapiens (Human)) | BDBM50358179 (CHEMBL1921961) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 291 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay | J Med Chem 54: 7639-47 (2011) Article DOI: 10.1021/jm200956q BindingDB Entry DOI: 10.7270/Q25Q4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50358179 (CHEMBL1921961) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL 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 Medical Center Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate | J Med Chem 54: 7639-47 (2011) Article DOI: 10.1021/jm200956q BindingDB Entry DOI: 10.7270/Q25Q4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor (Rattus norvegicus (Rat)) | BDBM50358179 (CHEMBL1921961) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Positive allosteric modulator activity at rat mGlu5 receptor expressed in human HEK293 at 10 uM by calcium mobilization assay | J Med Chem 54: 7639-47 (2011) Article DOI: 10.1021/jm200956q BindingDB Entry DOI: 10.7270/Q25Q4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor 6 (Homo sapiens (Human)) | BDBM50358179 (CHEMBL1921961) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Positive allosteric modulator activity at human mGlu6 receptor at 10 uM by thallium flux assay | J Med Chem 54: 7639-47 (2011) Article DOI: 10.1021/jm200956q BindingDB Entry DOI: 10.7270/Q25Q4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50358179 (CHEMBL1921961) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate | J Med Chem 54: 7639-47 (2011) Article DOI: 10.1021/jm200956q BindingDB Entry DOI: 10.7270/Q25Q4WHD | |||||||||||
More data for this Ligand-Target Pair |