BDBM93132 PBQ1
SMILES: CC(C)(O)CCCC1(C)CC(=O)c2cc(O)c(Br)cc2O1
InChI Key: InChIKey=QZDDHLKGAQQTLO-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM93132 (PBQ1) | PDB 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
University of the West Indies | Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d... | Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM93132 (PBQ1) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of the West Indies | Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d... | Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM93132 (PBQ1) | 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 | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of the West Indies | Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d... | Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM93132 (PBQ1) | PDB 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL | Assay Description Inhibition of human CYP1A1 expressed in Escherichia coli coexpressing CYP reductase using 7-Ethoxyresorufin as substrate by fluorescence spectrophoto... | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM93132 (PBQ1) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of the West Indies | Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d... | Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM93132 (PBQ1) | 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 | 5.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of the West Indies | Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d... | Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM93132 (PBQ1) | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of the West Indies | Assay Description The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric d... | Org Med Chem Lett 2: 21 (2012) Article DOI: 10.1186/2191-2858-2-21 BindingDB Entry DOI: 10.7270/Q25H7DWM | |||||||||||
More data for this Ligand-Target Pair |