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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
7
hits in this display
Target
Chymotrypsinogen A
(Bos taurus (bovine))
TBA
Curated by
ChEMBL
Ligand
BDBM50280489
((S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyry...)
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Affinity Data
Ki: 2.50E+3nM
Assay Description:
Concentration required to inhibit the enzyme chymotrypsin
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
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Target
Cathepsin S
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50280489
((S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyry...)
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Affinity Data
Ki: 4.00E+3nM
Assay Description:
Concentration required to inhibit the enzyme cathepsin
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
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Target
Pepsin A
(Porcine)
TBA
Curated by
ChEMBL
Ligand
BDBM50280489
((S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyry...)
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Affinity Data
Ki: 4.00E+4nM
Assay Description:
Concentration required to inhibit the enzyme pepsin
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
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Target
Renin
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50280489
((S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyry...)
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Affinity Data
IC50: 16nM
Assay Description:
Concentration of the compound required to inhibit human plasma renin by 50% using radio-immunoassay was determined
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
Copy BDB DOI
Target
Renin
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50280489
((S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyry...)
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Copy InChI
Affinity Data
IC50: 22nM
Assay Description:
Evaluated for the antagonistic activity against 5-hydroxytryptamine 3 receptor in isolated perfused rabbit heart (RH)
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
Copy BDB DOI
Target
Renin
(Homo sapiens (Human))
TBA
Curated by
ChEMBL
Ligand
BDBM50280489
((S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyry...)
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Copy InChI
Affinity Data
IC50: 3.00E+3nM
Assay Description:
Evaluated for the antagonistic activity against 5-hydroxytryptamine 3 receptor in isolated guinea pig ileum (GPI)
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
Copy BDB DOI
Target
Renin
(Rattus norvegicus)
TBA
Curated by
ChEMBL
Ligand
BDBM50280489
((S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyry...)
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Affinity Data
IC50: 1.00E+5nM
Assay Description:
Concentration of the compound required to inhibit rat plasma renin by 50% using radio-immunoassay was determined
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
Copy BDB DOI