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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
14
hits in this display
Target
Cytochrome P450 1A2
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 2.50E+3nM
Assay Description:
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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Target
Cytochrome P450 2C8
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 2.90E+3nM
Assay Description:
Inhibition of CYP2C8 in human liver microsomes using amodiaquin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...
More data for this Ligand-Target Pair
Target Info
PDB
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KEGG
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KEGG
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Target
Cytochrome P450 2C9
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 3.30E+3nM
Assay Description:
Binding affinity towards human Melanocortin 1 receptor (hMC1R)
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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KEGG
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 4.00E+3nM
Assay Description:
Inhibition of recombinant human CYP3A4 expressed in baculosomes using Vivid BOMR substrate red measured every 30 sec for 30 mins by fluorescence assa...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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KEGG
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Target
Cytochrome P450 2B6
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 5.80E+3nM
Assay Description:
Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 10 mins followed by NADPH addition measured after 20 min...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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KEGG
PC cid
PC sid
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PubMed
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
Copy SMILES
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Affinity Data
IC50: 8.30E+3nM
Assay Description:
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition measured after 10 ...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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KEGG
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In Depth
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Article
PubMed
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Target
Cytochrome P450 2C19
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 1.88E+4nM
Assay Description:
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC1R)
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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KEGG
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Target
Cytochrome P450 1A2
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 2.07E+4nM
Assay Description:
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by HPLC analysis
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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KEGG
PC cid
PC sid
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2C9
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 2.92E+4nM
Assay Description:
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by HPLC analysis
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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Ligand Info
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KEGG
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PC sid
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 6.52E+4nM
Assay Description:
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 5 mins
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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KEGG
PC cid
PC sid
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In Depth
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Article
PubMed
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Target
Cytochrome P450 2E1
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 7.61E+4nM
Assay Description:
Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 10 mins followed by NADPH addition measured after 20...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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KEGG
PC cid
PC sid
Patents
In Depth
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Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2A6
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 8.33E+4nM
Assay Description:
Inhibition of CYP2A6 in human liver microsomes using Coumarin as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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KEGG
PC cid
PC sid
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2D6
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
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Affinity Data
IC50: 8.70E+4nM
Assay Description:
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
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KEGG
PC cid
PC sid
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2E1
(Homo sapiens (Human))
Hanyang University
Curated by
ChEMBL
Ligand
BDBM50237536
(6-Shogaol | CHEBI:10138 | SHOGAOL | Trans-6-Shogao...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 9.96E+4nM
Assay Description:
Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate by HPLC analysis
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
KEGG
PC cid
PC sid
Patents
In Depth
Details
Article
PubMed
Copy BDB DOI