BDBM50209569 4-hydroxy-7H-furo[3,2-g]chromen-7-one::CHEMBL242711::bergaptol
SMILES: Oc1c2ccoc2cc2oc(=O)ccc12
InChI Key: InChIKey=GIJHDGJRTUSBJR-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM50209569 (4-hydroxy-7H-furo[3,2-g]chromen-7-one | CHEMBL2427...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation | Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50209569 (4-hydroxy-7H-furo[3,2-g]chromen-7-one | CHEMBL2427...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Texas A&M University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 | Bioorg Med Chem 15: 3684-91 (2007) Article DOI: 10.1016/j.bmc.2007.03.047 BindingDB Entry DOI: 10.7270/Q2D79B3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50209569 (4-hydroxy-7H-furo[3,2-g]chromen-7-one | CHEMBL2427...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kinki University Curated by ChEMBL | Assay Description Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay | Bioorg Med Chem 20: 784-8 (2012) Article DOI: 10.1016/j.bmc.2011.12.002 BindingDB Entry DOI: 10.7270/Q2F47PKK | |||||||||||
More data for this Ligand-Target Pair |