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Compile Data Set for Download or QSAR
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
11
hits in this display
Target
Beta-secretase 1
(Homo sapiens (Human))
Kinki University
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
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Affinity Data
Ki: 700nM
Assay Description:
Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-substrate-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixo...
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Target
Cytochrome P450 2B1
(Rattus norvegicus)
F. Hoffmann-La Roche
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
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Affinity Data
Ki: 2.40E+3nM
Assay Description:
Mechanism based inhibition of rat cytochrome P450 2B1
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Target
Cytochrome P450 2B4
(Oryctolagus cuniculus)
F. Hoffmann-La Roche
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
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Affinity Data
Ki: 2.80E+3nM
Assay Description:
Mechanism based inhibition of rabbit cytochrome P450 2B4
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Target Info
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Target
Cytochrome P450 2B6
(Homo sapiens (Human))
F. Hoffmann-La Roche
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
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Affinity Data
Ki: 5.20E+3nM
Assay Description:
Mechanism based inhibition of human cytochrome P450 2B6
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
F. Hoffmann-La Roche
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
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Affinity Data
Ki: 7.70E+3nM
Assay Description:
Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation and erythromycin N-demethylation
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Target Info
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Target
Cytochrome P450 3A5
(Homo sapiens (Human))
F. Hoffmann-La Roche
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
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Affinity Data
Ki: 2.00E+4nM
Assay Description:
Mechanism based inhibition of human cytochrome P450 3A5
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Target Info
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Target
Beta-secretase 1
(Homo sapiens (Human))
Kinki University
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
Copy SMILES
Copy InChI
Affinity Data
Ki: 3.48E+4nM
Assay Description:
Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixon and Corn...
More data for this Ligand-Target Pair
Target Info
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Article
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Target
Cytochrome P450 2E1
(Homo sapiens (Human))
F. Hoffmann-La Roche
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
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Affinity Data
Ki: 4.00E+4nM
Assay Description:
Mechanism based inhibition of human cytochrome P450 2E1
More data for this Ligand-Target Pair
Target Info
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Target
Cytochrome P450 1B1
(Homo sapiens (Human))
Universit£
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
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Affinity Data
Ki: 5.87E+5nM
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...
More data for this Ligand-Target Pair
Target Info
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ChEBI
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In Depth
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Article
PubMed
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
F. Hoffmann-La Roche
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
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Affinity Data
IC50: 2.42E+3nM
Assay Description:
Inhibition of CYP3A4 after 30 mins by fluorescence microplate reader assay
More data for this Ligand-Target Pair
Target Info
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KEGG
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antibodypedia
GoogleScholar
Ligand Info
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ChEBI
CHEMBL
PC cid
PC sid
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Beta-secretase 1
(Homo sapiens (Human))
Kinki University
Curated by
ChEMBL
Ligand
BDBM50310823
(CHEMBL1078442 | bergamottin)
Copy SMILES
Copy InChI
Affinity Data
IC50: 3.22E+4nM
Assay Description:
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI