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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
12
hits in this display
Target
AP2-associated protein kinase 1
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
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Affinity Data
IC50: 0.600nM
Assay Description:
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
AP2-associated protein kinase 1
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.770nM
Assay Description:
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
US Patent
Copy BDB DOI
Target
AP2-associated protein kinase 1
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.770nM
Assay Description:
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
US Patent
Copy BDB DOI
Target
AP2-associated protein kinase 1
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.770nM
Assay Description:
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
US Patent
Copy BDB DOI
Target
AP2-associated protein kinase 1
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.770nM
Assay Description:
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 Cl prepared from 15 μl additions of enzyme and substrates (...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
US Patent
Copy BDB DOI
Target
AP2-associated protein kinase 1
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.770nM
Assay Description:
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
US Patent
Copy BDB DOI
Target
AP2-associated protein kinase 1
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 0.770nM
Assay Description:
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
US Patent
Copy BDB DOI
Target
AP2-associated protein kinase 1
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 7.80nM
Assay Description:
Inhibition of AKK1 in HEK293F cells assessed as reduction in phospho mu2 formation incubated for 3 hrs by Western blot analysis
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 380nM
Assay Description:
Inhibition of MNK2 (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
cGMP-dependent protein kinase 2
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 380nM
Assay Description:
Inhibition of PKG2 (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
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Copy InChI
Affinity Data
IC50: 1.70E+3nM
Assay Description:
Inhibition of GSK3A (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM311191
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.80E+4nM
Assay Description:
Inhibition of CYP3A4 (unknown origin) using BFC as substrate
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI