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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Pathways
Source Organism
Number of Compounds
Monomer List in csv
Het List in SDF
Compound
FDA Drugs
Important Compounds
Chemical Structure
Name
SMILES
Number of Data
/
Targets
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Citation
Author
Journal/Citation
Institution
PubMed
PubChem BioAssay
US Patent
Special Data Sets
D3R
Host Guest Systems
Prot-Lig Validation Sets
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PDB
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Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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BindingDB:
curated from Articles and Patents
ChEMBL:
extracted from ChEMBL database
PubChem:
extracted from PubChem confirmatory BioAssays
PDSP Ki:
extracted from PDSP Ki
CSAR:
extracted from CSAR data
US Patents:
extracted from US Patents by BindingDB
D3R:
extracted from D3R
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Target Name
Compound Name
PDB ID
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PubMed
Molecular Weight (Da)
Sequence (BLAST)
Source organism
Molecular Weight
Chemical Structure
SMILES
KI (Enzyme Inhibition Constant)
IC50 (Enzyme Inhibition Constant)
Kd (Enzyme Inhibition Constant)
EC50 (Enzyme Inhibition Constant)
Koff (Enzyme Inhibition Constant)
Kon (Enzyme Inhibition Constant)
ΔG˚ (Isothermal Titration Calorimetry)
ΔH˚ (Isothermal Titration Calorimetry)
pH
Title
Author
Year
Journal
Institution
Keywords
Title
Author
Institution
Year
Keywords