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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
5
hits in this display
Target
Caspase-3
(Homo sapiens (Human))
Washington University
Curated by
ChEMBL
Ligand
BDBM50216422
(2-[1-(hydroxy-benzyl-2-oxo-5-(2-phenoxymethyl-pyrr...)
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Affinity Data
IC50: 31.8nM
Assay Description:
Inhibition of human recombinant caspase 3
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
Similars
In Depth
Details
Article
PubMed
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Target
Caspase-7
(Homo sapiens (Human))
Washington University
Curated by
ChEMBL
Ligand
BDBM50216422
(2-[1-(hydroxy-benzyl-2-oxo-5-(2-phenoxymethyl-pyrr...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 126nM
Assay Description:
Inhibition of human recombinant caspase 7
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
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-6
(Homo sapiens (Human))
Washington University
Curated by
ChEMBL
Ligand
BDBM50216422
(2-[1-(hydroxy-benzyl-2-oxo-5-(2-phenoxymethyl-pyrr...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 744nM
Assay Description:
Inhibition of human recombinant caspase 6
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-1
(Homo sapiens (Human))
Washington University
Curated by
ChEMBL
Ligand
BDBM50216422
(2-[1-(hydroxy-benzyl-2-oxo-5-(2-phenoxymethyl-pyrr...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2.30E+3nM
Assay Description:
Inhibition of human recombinant 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
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Caspase-8
(Homo sapiens (Human))
Washington University
Curated by
ChEMBL
Ligand
BDBM50216422
(2-[1-(hydroxy-benzyl-2-oxo-5-(2-phenoxymethyl-pyrr...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of human recombinant caspase 8
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI