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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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PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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Targets Binding with 682 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
Beta-lactamase pse-1
IC50:
1
1
1
2D
3D
TSV
Cephalosporinase
Ki:
145
IC50:
357
27
1
2D
3D
TSV
Penicilinasa
IC50:
1
1
1
2D
3D
TSV
thyroid beta
Ki:
2
IC50:
79
3
3
2D
3D
TSV
Thyroid Hormone Receptor (TR-beta)
Ki:
132
IC50:
708
Kd:
37
EC50:
103
41
10
2D
3D
TSV
Thyroid hormone receptor beta
Ki:
132
IC50:
662
Kd:
37
EC50:
103
40
10
2D
3D
TSV
Thyroid hormone receptor beta-1
Ki:
2
IC50:
79
3
3
2D
3D
TSV