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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
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Name
SMILES
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/
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Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Targets Binding with 217 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
17-beta-hydroxysteroid dehydrogenase type 3
IC50:
267
14
5
2D
3D
TSV
Amygdalase
Ki:
3
1
1
2D
3D
TSV
Beta-D-glucoside glucohydrolase
Ki:
3
1
1
2D
3D
TSV
beta-glucosidase
Ki:
7
1
1
2D
3D
TSV
Cellobiase
Ki:
3
1
1
2D
3D
TSV
Dual specificity protein phosphatase 1
IC50:
15
1
1
2D
3D
TSV
Dual specificity protein phosphatase hVH1
IC50:
399
10
4
2D
3D
TSV
Estradiol 17-beta-dehydrogenase 3
IC50:
266
14
3
2D
3D
TSV
Gentiobiase
Ki:
3
1
1
2D
3D
TSV
GPR119
EC50:
1
1
1
2D
3D
TSV
MAP kinase phosphatase 1
IC50:
399
10
4
2D
3D
TSV
MKP-1
IC50:
399
10
4
2D
3D
TSV
Nicotinic acetylcholine receptor alpha6/alpha3/beta4
Ki:
186
IC50:
51
EC50:
98
29
21
2D
3D
TSV
Protein-tyrosine phosphatase CL100
IC50:
399
10
4
2D
3D
TSV