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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
Journal/Citation
Institution
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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 119 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
BAS1855
IC50:
124
2
4
2D
3D
TSV
BA_1998
IC50:
124
2
4
2D
3D
TSV
CDC-like kinase 3
IC50:
63
6
7
2D
3D
TSV
FGR
Ki:
2
IC50:
36
Kd:
143
32
4
2D
3D
TSV
G-protein-coupled receptor (GPR30 )
Ki:
9
IC50:
140
EC50:
4
7
10
2D
3D
TSV
GBAA_1998
IC50:
124
2
4
2D
3D
TSV
MST4
IC50:
39
Kd:
123
24
7
2D
3D
TSV
Nicotinamide adenine dinucleotide synthetase (NADs)
IC50:
124
2
4
2D
3D
TSV
p21-Activated kinase 2 (PAK2)
Ki:
10
IC50:
27
Kd:
126
26
4
2D
3D
TSV
p55-Fgr
IC50:
5
1
4
2D
3D
TSV
PAK2
Ki:
10
IC50:
27
Kd:
126
26
4
2D
3D
TSV
Proto-oncogene c-Fgr
IC50:
5
1
4
2D
3D
TSV
Purinergic, P2X2
Ki:
4
IC50:
73
EC50:
14
6
3
2D
3D
TSV
Serine/threonine-protein kinase MST4
IC50:
39
Kd:
123
24
7
2D
3D
TSV
Serine/threonine-protein kinase PAK 2
Ki:
10
IC50:
27
Kd:
126
26
4
2D
3D
TSV
Serine/threonine-protein kinase PAK 2 (PAK2)
Ki:
10
IC50:
27
Kd:
126
26
4
2D
3D
TSV