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BDBM50308719 (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one)::CHEMBL453805::Imperatorin
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
InChI Key: InChIKey=OLOOJGVNMBJLLR-UHFFFAOYSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM50308719 ((9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval Curated by ChEMBL | Assay Description Competitive inhibition of CYP1B1 (unknown origin) expressed in yeast microsomes using (-)benzo[a]pyrene-7R-trans-7,8-dihyrodiol (B[a]P-7,8-diol) as s... | 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 | |||||||||||||
| Beta-secretase 1 (Homo sapiens (Human)) | BDBM50308719 ((9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 9.18E+4 | 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 | |||||||||||||
| Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human)) | BDBM50308719 ((9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]b...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xiamen University Curated by ChEMBL | Assay Description Inhibition of GST-tagged human HePTP using pNpp as substrate after 30 mins | Bioorg Med Chem Lett 21: 6833-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.023 BindingDB Entry DOI: 10.7270/Q2CJ8DW6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-secretase 1 (Homo sapiens (Human)) | BDBM50308719 ((9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kinki University Curated by ChEMBL | Assay Description Inhibition of human recombinant BACE1 after 60 mins by fluorescence assay | Bioorg Med Chem 18: 455-9 (2010) Article DOI: 10.1016/j.bmc.2009.10.004 BindingDB Entry DOI: 10.7270/Q2K64J6S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual specificity protein phosphatase (VHR) (Homo sapiens (Human)) | BDBM50308719 ((9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xiamen University Curated by ChEMBL | Assay Description Inhibition of GST-tagged human VHR using pNpp as substrate after 30 mins | Bioorg Med Chem Lett 21: 6833-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.023 BindingDB Entry DOI: 10.7270/Q2CJ8DW6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
