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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
14
hits in this display
Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
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Affinity Data
Ki: 0.700nM
Assay Description:
Inhibition of human ICE
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
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Article
PubMed
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Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
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Affinity Data
Ki: 0.760nM
Assay Description:
The compound was tested for inhibition of IL-1 beta converting enzyme in whole human blood.
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
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PC sid
Similars
In Depth
Details
Article
Copy BDB DOI
Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
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Affinity Data
Ki: 6nM
Assay Description:
Binding affinity towards IL-1 beta converting enzyme (ICE)
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
Copy BDB DOI
Target
Caspase-1
(Mus musculus)
Pfizer
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
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Affinity Data
Ki: 9nM
Assay Description:
Inhibition of mouse ICE
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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CHEMBL
PC cid
PC sid
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In Depth
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Article
PubMed
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Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM50091566
(3-(2-{2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propio...)
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Affinity Data
IC50: 0.760nM
Assay Description:
Dissociation constant for inhibition of caspase-1
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
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Copy InChI
Affinity Data
IC50: 8.10nM
Assay Description:
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
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Affinity Data
IC50: 8.40nM
pH: 7.4 T: 2°C
Assay Description:
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
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Copy InChI
Affinity Data
IC50: 8.40nM
Assay Description:
Inhibition of caspase 1 by fluorometric assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 17nM
Assay Description:
Inhibition of human ICE
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Interleukin-1 beta
(Homo sapiens (Human))
The University Of Montana
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
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Affinity Data
IC50: 2.00E+3nM
Assay Description:
Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
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Copy InChI
Affinity Data
IC50: 2.00E+3nM
Assay Description:
Ability to inhibit IL-1 beta converting enzyme was evaluated in LPS-stimulated human whole blood
Checked by Author
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 6.80E+4nM
Assay Description:
Amidolytic activity of THP.1 cell lysate against IL-1 beta converting enzyme using C1-Asp-AMC as a substrate
Checked by Author
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-3
(Homo sapiens (Human))
Institute For Drug Research
Curated by
ChEMBL
Ligand
BDBM10355
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
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Affinity Data
IC50: 1.90E+5nM
Assay Description:
Amidolytic activity of THP.1 cell lysate against Caspase-3 using C3-Asp-AMC as a substrate
Checked by Author
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-1
(Homo sapiens (Human))
Pfizer
Curated by
ChEMBL
Ligand
BDBM50091566
(3-(2-{2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propio...)
Copy SMILES
Copy InChI
Affinity Data
K
off
: 3.80E+5s
-1
Assay Description:
Evaluated for kinetic dissociation constant (kon) for the inhibition of caspase-1.
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
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