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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
10
hits in this display
Target
Dipeptidyl peptidase 4
(Homo sapiens (Human))
Boehringer Ingelheim Pharma
Curated by
ChEMBL
Ligand
BDBM50228397
(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
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Affinity Data
IC50: 3nM
Assay Description:
Inhibition of human DPP4 in Caco2 cells by fluorescene 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
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PC sid
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Article
PubMed
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Target
Dipeptidyl peptidase 4
(Homo sapiens (Human))
Boehringer Ingelheim Pharma
Curated by
ChEMBL
Ligand
BDBM50228397
(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
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Copy InChI
Affinity Data
IC50: 3nM
Assay Description:
The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.
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
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Dipeptidyl peptidase 4
(Homo sapiens (Human))
Boehringer Ingelheim Pharma
Curated by
ChEMBL
Ligand
BDBM50228397
(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
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Copy InChI
Affinity Data
IC50: 5nM
Assay Description:
Inhibition of human recombinant DPP4 (39 to 766 residues) using Ala-Pro-AFC as substrate incubated for 1 hr by fluorescence 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
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human))
Boehringer Ingelheim Pharma
Curated by
ChEMBL
Ligand
BDBM50228397
(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
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Affinity Data
IC50: 50nM
Assay Description:
Inhibition of M1 receptor (unknown origin)
More data for this Ligand-Target Pair
Target Info
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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Target
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human))
Boehringer Ingelheim Pharma
Curated by
ChEMBL
Ligand
BDBM50228397
(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
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Affinity Data
IC50: 50nM
Assay Description:
Displacement of [N-methyl-3H]-scopolamine from human recombinant muscarinic M1 receptor expressed in CHO cells
More data for this Ligand-Target Pair
Target Info
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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Target
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human))
Boehringer Ingelheim Pharma
Curated by
ChEMBL
Ligand
BDBM50228397
(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
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Affinity Data
IC50: 150nM
Assay Description:
Inhibition of M3 receptor (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
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In Depth
Details
Article
PubMed
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Target
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human))
Boehringer Ingelheim Pharma
Curated by
ChEMBL
Ligand
BDBM50228397
(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
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Affinity Data
IC50: 150nM
Assay Description:
Inhibition of M2 receptor (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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Target
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
Boehringer Ingelheim Pharma
Curated by
ChEMBL
Ligand
BDBM50228397
(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
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Affinity Data
IC50: 200nM
Assay Description:
Inhibition of human ERG channel
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Dipeptidyl peptidase 4
(Homo sapiens (Human))
Boehringer Ingelheim Pharma
Curated by
ChEMBL
Ligand
BDBM50228397
(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
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Copy InChI
Affinity Data
Kd: 9.20nM
Assay Description:
Binding affinity to human recombinant DPP4 (39 to 766 residues) at 5 uM by isothermal titration calorimetry
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
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Dipeptidyl peptidase 4
(Homo sapiens (Human))
Boehringer Ingelheim Pharma
Curated by
ChEMBL
Ligand
BDBM50228397
(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Copy SMILES
Copy InChI
Affinity Data
Kd: 0.420nM
Assay Description:
Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasmon resonance analysis
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
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI