BDBM50257044 CHEMBL2386772
SMILES: CCc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1
InChI Key: InChIKey=HCNDCTPUDCZMLX-UHFFFAOYSA-N
Data: 7 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 |
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Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50257044 (CHEMBL2386772) | 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 |
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins ... | J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50257044 (CHEMBL2386772) | 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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins... | J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50257044 (CHEMBL2386772) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using tacrine as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins by... | J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor (Rattus norvegicus (Rat)) | BDBM50257044 (CHEMBL2386772) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Negative allosteric modulation of rat mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced response by calcium mobi... | ACS Med Chem Lett 4: 500-1 (2013) Article DOI: 10.1021/ml400138p BindingDB Entry DOI: 10.7270/Q20V8GQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor (Rattus norvegicus (Rat)) | BDBM50257044 (CHEMBL2386772) | 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 | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL | Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei... | J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor (Rattus norvegicus (Rat)) | BDBM50257044 (CHEMBL2386772) | 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 | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL | Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei... | J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50257044 (CHEMBL2386772) | 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 |
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using (R)-bufuralol as substrate preincubated for 15 mins measured after 8 mins in presence or absence... | J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7 | |||||||||||
More data for this Ligand-Target Pair |