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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
6
hits in this display
Target
Collagenase 3
(Homo sapiens (Human))
The Scripps Research Institute
Curated by
ChEMBL
Ligand
BDBM40478
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
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Affinity Data
IC50: 1.60E+3nM
Assay Description:
Inhibition of human recombinant MMP13 by fluorogenic substrate 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
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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Target
Collagenase 3
(Homo sapiens (Human))
The Scripps Research Institute
Curated by
ChEMBL
Ligand
BDBM40478
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4.30E+3nM
Assay Description:
Inhibition of human recombinant MMP13 expressed in Escherichia coli
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
Collagenase 3
(Homo sapiens (Human))
The Scripps Research Institute
Curated by
ChEMBL
Ligand
BDBM40478
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4.32E+3nM
Assay Description:
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI 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
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Collagenase 3
(Homo sapiens (Human))
The Scripps Research Institute
Curated by
ChEMBL
Ligand
BDBM40478
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2.00E+4nM
Assay Description:
Inhibition of human recombinant MMP13 by HxBPyne probe-based competitive activity based protein profiling 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
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Neutrophil collagenase
(Homo sapiens (Human))
The Scripps Research Institute
Curated by
ChEMBL
Ligand
BDBM40478
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of human recombinant MMP8 by fluorogenic substrate 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
Matrix metalloproteinase-9
(Homo sapiens (Human))
The Scripps Research Institute
Curated by
ChEMBL
Ligand
BDBM40478
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of human recombinant MMP9 by fluorogenic substrate 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