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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
22
hits in this display
Target
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human))
Peking University
Curated by
ChEMBL
Ligand
BDBM69609
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
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Affinity Data
IC50: 310nM
Assay Description:
Inhibition of recombinant human PTP1B using p-nitrophenyl phosphate as substrate after 30 mins
More data for this Ligand-Target Pair
Target Info
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KEGG
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Target
Neuraminidase
(Influenza A virus)
University Of Innsbruck
Curated by
ChEMBL
Ligand
BDBM69609
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
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Affinity Data
IC50: 510nM
Assay Description:
Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay
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Target
Neuraminidase
(Influenza A virus)
University Of Innsbruck
Curated by
ChEMBL
Ligand
BDBM69609
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
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Affinity Data
IC50: 3.00E+3nM
Assay Description:
Inhibition of Influenza A virus J/8178/09 neuraminidase by chemiluminescence based assay
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Target
Neuraminidase
(Influenza A virus)
University Of Innsbruck
Curated by
ChEMBL
Ligand
BDBM69609
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
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Affinity Data
IC50: 3.06E+3nM
Assay Description:
Inhibition of Influenza A virus (A/Hong Kong/1/1968(H3N2)) neuraminidase by chemiluminescence based assay
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Target
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human))
Peking University
Curated by
ChEMBL
Ligand
BDBM69609
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
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Affinity Data
IC50: 5.00E+3nM
Assay Description:
Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins
More data for this Ligand-Target Pair
Target Info
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MMDB
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KEGG
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Target
Neuraminidase
(Influenza A virus)
University Of Innsbruck
Curated by
ChEMBL
Ligand
BDBM69609
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
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Affinity Data
IC50: 1.41E+4nM
Assay Description:
Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase by chemiluminescence based assay
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Target
Cytochrome P450 1B1
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
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Affinity Data
IC50: 1.50E+4nM
Assay Description:
Inhibition of human CYP1B1 expressed in HEK293 cells by fluorescence assay
More data for this Ligand-Target Pair
Target Info
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Target
Cytochrome P450 1B1
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
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Affinity Data
IC50: 1.50E+4nM
Assay Description:
Inhibition of human CYP1B1 expressed in MDA-MB-468 cells assessed as cell toxicity
More data for this Ligand-Target Pair
Target Info
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Target
Cytochrome P450 1A1
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
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Affinity Data
IC50: 1.76E+4nM
Assay Description:
Inhibition of recombinant human CYP1A1 expressed in yeast microsomal membranes by fluorescence assay
More data for this Ligand-Target Pair
Target Info
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Target
Cytochrome P450 2D6
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
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Affinity Data
IC50: >2.00E+4nM
Assay Description:
Inhibition of human CYP2D6 expressed in HEK293 cells by fluorescence assay
More data for this Ligand-Target Pair
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Target
Cytochrome P450 1A2
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
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Affinity Data
IC50: >2.00E+4nM
Assay Description:
Inhibition of recombinant human CYP1A2 expressed in yeast microsomal membranes by fluorescence assay
More data for this Ligand-Target Pair
Target Info
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KEGG
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
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Affinity Data
IC50: >2.00E+4nM
Assay Description:
Inhibition of human CYP3A4 expressed in HEK293 cells by fluorescence assay
More data for this Ligand-Target Pair
Target Info
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KEGG
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
Copy SMILES
Copy InChI
Affinity Data
IC50: >2.00E+4nM
Assay Description:
Inhibition of recombinant human CYP3A4 expressed in yeast microsomal membranes by fluorescence assay
More data for this Ligand-Target Pair
Target Info
PDB
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KEGG
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Target
Cytochrome P450 1A1
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
Copy SMILES
Copy InChI
Affinity Data
IC50: >2.00E+4nM
Assay Description:
Inhibition of human CYP1A1 transfected in HEK293 cells assessed as cell toxicity
More data for this Ligand-Target Pair
Target Info
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Target
Cytochrome P450 1B1
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
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Affinity Data
IC50: >2.00E+4nM
Assay Description:
Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assay
More data for this Ligand-Target Pair
Target Info
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Target
Cytochrome P450 1A1
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
Copy SMILES
Copy InChI
Affinity Data
IC50: >2.00E+4nM
Assay Description:
Inhibition of human CYP1A expressed in HEK293 cells by fluorescence assay
More data for this Ligand-Target Pair
Target Info
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KEGG
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Target
Cytochrome P450 2D6
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
Copy SMILES
Copy InChI
Affinity Data
IC50: >2.00E+4nM
Assay Description:
Inhibition of recombinant human CYP2D6 expressed in yeast microsomal membranes by fluorescence assay
More data for this Ligand-Target Pair
Target Info
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Target
Cytochrome P450 1A2
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
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Affinity Data
IC50: >2.00E+4nM
Assay Description:
Inhibition of human CYP1A2 expressed in HEK293 cells by fluorescence assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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PubMed
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Target
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human))
Peking University
Curated by
ChEMBL
Ligand
BDBM69609
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
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Copy InChI
Affinity Data
IC50: 3.75E+4nM
Assay Description:
Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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Article
PubMed
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Target
Cytochrome P450 1B1
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
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Affinity Data
EC50: 5.20E+3nM
Assay Description:
Inhibition of human CYP1B1 expressed in MDA-MB-468 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 20...
More data for this Ligand-Target Pair
Target Info
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Target
Glycogen synthase kinase-3 beta
(Homo sapiens (Human))
Broad Institute
Curated by
PubChem BioAssay
Ligand
BDBM69609
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
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Affinity Data
EC50: 5.84E+4nM
Assay Description:
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Cytochrome P450 1A1
(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine
Curated by
ChEMBL
Ligand
BDBM50453918
(CHEMBL4078418)
Copy SMILES
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Affinity Data
EC50: 2.30E+3nM
Assay Description:
Inhibition of human CYP1A1 transfected in HEK293 cells assessed as protection against CYP1A1 mediated B[a]P toxicity by measuring B[a]P EC50 at 20 uM...
More data for this Ligand-Target Pair
Target Info
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