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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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Author
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85%
100%
Seq ID
UniProtKB/Swiss-Prot
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All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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Targets Binding with 156 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
3-alpha-HSD1
Ki:
4
IC50:
176
14
5
2D
3D
TSV
3-alpha-Hydroxysteroid Dehydrogenase Type 1 (AKR1C4)
Ki:
4
IC50:
176
14
5
2D
3D
TSV
3-alpha-hydroxysteroid dehydrogenase type I
Ki:
4
IC50:
176
14
5
2D
3D
TSV
Aldo-keto reductase family 1 member C4
Ki:
4
IC50:
176
14
5
2D
3D
TSV
Aldo-keto reductase family 1 member C4 (AK1C4)
Ki:
4
IC50:
176
14
5
2D
3D
TSV
CDR
Ki:
4
IC50:
176
14
5
2D
3D
TSV
Chlordecone reductase
Ki:
4
IC50:
176
14
5
2D
3D
TSV
DD-4
Ki:
4
IC50:
176
14
5
2D
3D
TSV
DD4
Ki:
4
IC50:
176
14
5
2D
3D
TSV
Dihydrodiol dehydrogenase 4
Ki:
4
IC50:
176
14
5
2D
3D
TSV
HAKRA
Ki:
4
IC50:
176
14
5
2D
3D
TSV
Integrin-linked protein kinase (ILK)
IC50:
153
Kd:
3
4
7
2D
3D
TSV
Mitogen-activated protein kinase kinase kinase 9
Ki:
1
IC50:
65
Kd:
127
Other:
11
28
6
2D
3D
TSV
Mitogen-activated protein kinase kinase kinase 9 (MLK1)
Ki:
1
IC50:
65
Kd:
127
Other:
11
28
6
2D
3D
TSV
Mixed Lineage Kinase 1 (MLK1)
Ki:
1
IC50:
65
Kd:
127
Other:
11
28
6
2D
3D
TSV
MLK1
Ki:
1
IC50:
65
Kd:
127
Other:
11
28
6
2D
3D
TSV
nanH
IC50:
12
1
1
2D
3D
TSV
Serine/threonine-protein kinase ILK-1
IC50:
153
Kd:
3
4
7
2D
3D
TSV