BDBM50273781 6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquinolin-2(1H)-one::CHEMBL457856
SMILES: COc1cncc(c1)-c1ccc2N(C)C(=O)CCc2c1
InChI Key: InChIKey=HVELTVXSVCFFQC-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50273781 (6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes | J Med Chem 51: 8077-87 (2008) Article DOI: 10.1021/jm800888q BindingDB Entry DOI: 10.7270/Q23B6008 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human)) | BDBM50273781 (6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquin...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of human CYP11B1 expressed in hamster V79 MZh cells | J Med Chem 51: 8077-87 (2008) Article DOI: 10.1021/jm800888q BindingDB Entry DOI: 10.7270/Q23B6008 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human)) | BDBM50273781 (6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquin...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells | J Med Chem 51: 8077-87 (2008) Article DOI: 10.1021/jm800888q BindingDB Entry DOI: 10.7270/Q23B6008 | |||||||||||
More data for this Ligand-Target Pair |