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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
4
hits in this display
Target
Cytochrome P450 1A1
(Homo sapiens (Human))
University Of Crete
Curated by
ChEMBL
Ligand
BDBM50025321
(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...)
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Affinity Data
Ki: >800nM
Assay Description:
Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin
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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CHEMBL
KEGG
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PC sid
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In Depth
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Article
PubMed
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Target
Cytochrome P450 1B1
(Homo sapiens (Human))
University Of Crete
Curated by
ChEMBL
Ligand
BDBM50025321
(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...)
Copy SMILES
Copy InChI
Affinity Data
Ki: >800nM
Assay Description:
Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
KEGG
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Polyunsaturated fatty acid 5-lipoxygenase
(Rattus norvegicus)
TBA
Curated by
ChEMBL
Ligand
BDBM50025321
(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...)
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Affinity Data
IC50: 95nM
Assay Description:
Ability to inhibit 5-lipoxygenase in rat basophilic leukemia cells.
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
Purchase
CHEMBL
KEGG
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
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Target
Aldo-keto reductase family 1 member B1
(Rattus norvegicus)
Inifta (Unlp, Cct La Plata-Conicet)
Curated by
ChEMBL
Ligand
BDBM50025321
(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...)
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Affinity Data
IC50: 170nM
Assay Description:
Inhibition of rat lens aldose reductase
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
Purchase
CHEMBL
KEGG
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI