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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
5
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Target
Cytochrome P450 2A6
(Homo sapiens (Human))
Human Biomolecular Research Institute
Ligand
BDBM12370
((3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine | [3...)
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Affinity Data
Ki: 300nM
Assay Description:
To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Article
PubMed
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Human Biomolecular Research Institute
Ligand
BDBM12370
((3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine | [3...)
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Affinity Data
Ki: >4.00E+5nM
Assay Description:
To measure CYP3A4 activity, testosterone 6-hydroxylation was determined. After reactions were terminated, the organic phase was collected and removed...
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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PC cid
PC sid
Patents
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In Depth
Details
Article
PubMed
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Target
Cytochrome P450 2A6
(Homo sapiens (Human))
Human Biomolecular Research Institute
Ligand
BDBM12370
((3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine | [3...)
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Affinity Data
IC50: 600nM
pH: 7.5
Assay Description:
To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Patents
Similars
In Depth
Details
US Patent
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Target
Cytochrome P450 2B6
(Homo sapiens (Human))
TBA
US Patent
Ligand
BDBM12370
((3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine | [3...)
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Affinity Data
IC50: 6.64E+4nM
pH: 7.5
Assay Description:
To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Patents
Similars
In Depth
Details
US Patent
Copy BDB DOI
Target
Alkaline phosphatase, tissue-nonspecific isozyme
(Homo sapiens (Human))
Burnham Center For Chemical Genomics
Curated by
PubChem BioAssay
Ligand
BDBM12370
((3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine | [3...)
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Patents
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI