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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
4
hits in this display
Target
Prothrombin
(Homo sapiens (Human))
Pcmd
Curated by
PubChem BioAssay
Ligand
BDBM33481
(3-benzamido-1H-1,2,4-triazole-5-carboxylic acid me...)
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Affinity Data
IC50: 54.5nM
pH: 7.5 T: 2°C
Assay Description:
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
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Target
Coagulation factor XII
(Homo sapiens (Human))
Pcmd
Curated by
PubChem BioAssay
Ligand
BDBM33481
(3-benzamido-1H-1,2,4-triazole-5-carboxylic acid me...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 92.4nM
Assay Description:
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Coagulation factor XII
(Homo sapiens (Human))
Pcmd
Curated by
PubChem BioAssay
Ligand
BDBM33481
(3-benzamido-1H-1,2,4-triazole-5-carboxylic acid me...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 92.4nM
pH: 7.4 T: 2°C
Assay Description:
HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Kallikrein-5
(Homo sapiens (Human))
Pcmd
Curated by
PubChem BioAssay
Ligand
BDBM33481
(3-benzamido-1H-1,2,4-triazole-5-carboxylic acid me...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 5.00E+4nM
Assay Description:
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI