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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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Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Targets Binding with 191 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
Epidermal growth factor receptor (EGFR)(T790)
IC50:
93
6
0
2D
3D
TSV
Epidermal growth factor receptor (EGFR)(T790M)
IC50:
93
6
0
2D
3D
TSV
Epidermal growth factor receptor (T790M)
IC50:
93
6
0
2D
3D
TSV
Neuronal acetylcholine receptor protein beta-4 subunit
Ki:
8
1
3
2D
3D
TSV
Neuronal acetylcholine receptor subunit beta-4
Ki:
8
1
3
2D
3D
TSV
Phosphodiesterase 10A (PDE10A)
IC50:
197
3
0
2D
3D
TSV
Pyruvate dehydrogenase kinase
Ki:
30
IC50:
204
Kd:
25
49
8
2D
3D
TSV
Pyruvate dehydrogenase kinase 4 (PDK4)
Ki:
1
IC50:
16
7
1
2D
3D
TSV
Pyruvate dehydrogenase kinase isoform 4
Ki:
1
IC50:
16
7
1
2D
3D
TSV
SMO
IC50:
263
EC50:
25
13
1
2D
3D
TSV