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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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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 61 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
Aminopeptidase A
Ki:
62
4
4
2D
3D
TSV
AP-A
Ki:
60
3
3
2D
3D
TSV
BRD4-BD1 and Histone H4
IC50:
61
1
1
2D
3D
TSV
CDK2/CycA
IC50:
62
3
2
2D
3D
TSV
CDK2/Cyclin A1
IC50:
62
3
7
2D
3D
TSV
CD_antigen=CD249
Ki:
62
4
4
2D
3D
TSV
CD_antigen=CD41
IC50:
61
4
6
2D
3D
TSV
Deoxynucleoside kinase
IC50:
67
4
1
2D
3D
TSV
Deoxyribonucleoside kinase
IC50:
67
4
1
2D
3D
TSV
Differentiation antigen gp160
Ki:
60
3
3
2D
3D
TSV
Dm-dNK
IC50:
67
4
1
2D
3D
TSV
Fibrinogen receptor subunit alpha IIb beta 3
IC50:
61
4
6
2D
3D
TSV
Glutamyl aminopeptidase
Ki:
62
4
4
2D
3D
TSV
Glycoprotein IIb
IC50:
61
4
6
2D
3D
TSV
GPalpha IIb
IC50:
61
4
6
2D
3D
TSV
GPIIb
IC50:
61
4
6
2D
3D
TSV
HTH-type transcriptional regulator EthR
IC50:
15
Kd:
8
EC50:
47
4
7
2D
3D
TSV
Human herpesvirus 1 DNA polymerase
IC50:
61
2
4
2D
3D
TSV
Integrin alpha-IIb
IC50:
61
4
6
2D
3D
TSV
Integrin alpha-IIb heavy chain
IC50:
61
4
6
2D
3D
TSV
Integrin alpha-IIb light chain, form 1
IC50:
61
4
6
2D
3D
TSV
Integrin alpha-IIb light chain, form 2
IC50:
61
4
6
2D
3D
TSV
Multispecific deoxynucleoside kinase
IC50:
67
4
1
2D
3D
TSV
P2X1
Ki:
7
IC50:
42
Kd:
3
EC50:
23
19
4
2D
3D
TSV
Phosphoglycerate dehydrogenase (PHGDH)
Ki:
2
IC50:
103
Kd:
12
4
5
2D
3D
TSV
Platelet membrane glycoprotein IIb
IC50:
61
4
6
2D
3D
TSV
PP-1A
Ki:
1
IC50:
60
2
8
2D
3D
TSV
protein phosphatase 1, catalytic subunit, alpha isoform 3
Ki:
1
IC50:
60
2
8
2D
3D
TSV
Purinergic, P2X1
Ki:
3
IC50:
20
Kd:
3
EC50:
12
6
1
2D
3D
TSV
RP-2 protein
Ki:
3
IC50:
20
Kd:
3
EC50:
12
6
1
2D
3D
TSV
Serine/threonine protein phosphatase PP1-alpha catalytic subunit
Ki:
1
IC50:
60
2
8
2D
3D
TSV
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
Ki:
1
IC50:
60
2
8
2D
3D
TSV
Sialidase 3
Ki:
3
IC50:
83
8
4
2D
3D
TSV
Sialidase-3
Ki:
3
IC50:
83
8
4
2D
3D
TSV
Transcriptional repressor EthR (EthR)
IC50:
14
Kd:
8
EC50:
47
4
5
2D
3D
TSV
UDG
Ki:
2
IC50:
46
EC50:
14
4
8
2D
3D
TSV
Uracil-DNA glycosylase
IC50:
28
EC50:
14
2
1
2D
3D
TSV