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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
13
hits in this display
Target
Cytochrome P450 2A6
(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by
ChEMBL
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
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Affinity Data
Ki: 250nM
Assay Description:
Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
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In Depth
Details
Article
PubMed
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Target
Cytochrome P450 2A6
(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by
ChEMBL
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 900nM
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
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Human Biomolecular Research Institute
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
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Affinity Data
Ki: <2.50E+4nM
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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2A6
(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by
ChEMBL
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.50E+3nM
Assay Description:
Inhibitory concentration value against human cytochrome P-450 2A6
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2A6
(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by
ChEMBL
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.85E+3nM
Assay Description:
The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
US Patent
Copy BDB DOI
Target
Cytochrome P450 2A6
(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by
ChEMBL
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.85E+3nM
Assay Description:
The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
US Patent
Copy BDB DOI
Target
Cytochrome P450 2B6
(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by
ChEMBL
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 6.30E+3nM
Assay Description:
Inhibitory concentration value against human cytochrome P-450 2B6
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2E1
(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by
ChEMBL
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 6.30E+3nM
Assay Description:
Inhibitory concentration value against human cytochrome P-450 2E1
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2C19
(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by
ChEMBL
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Copy SMILES
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Affinity Data
IC50: 2.49E+4nM
Assay Description:
Inhibitory concentration value against human cytochrome P-450 2C19
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Human Biomolecular Research Institute
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
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Copy InChI
Affinity Data
IC50: <2.50E+4nM
Assay Description:
To gain insight into the selectivity of the synthetic compounds, nicotine, nicotine related alkaloids and nicotine metabolites for inhibition of othe...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
US Patent
Copy BDB DOI
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Human Biomolecular Research Institute
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 8.09E+4nM
Assay Description:
Inhibitory concentration value against human cytochrome P-450 3A4
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2C9
(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by
ChEMBL
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.23E+5nM
Assay Description:
Inhibitory concentration against human cytochrome P-450 2C9
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 2D6
(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by
ChEMBL
Ligand
BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.93E+5nM
Assay Description:
Inhibitory concentration value against human cytochrome P-450 2D6
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI