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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
Special tools
3D Structure Series
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SCOP
Citation
Author
Journal/Citation
Institution
PubMed
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Special Data Sets
D3R
Host Guest Systems
Prot-Lig Validation Sets
Other Databases
PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
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All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
Contribute data
Sent Comments
Targets Binding with 2920 Compounds
Target Name
Commercially
Available
Compounds
Protein/Small Molecule
Other
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UniProtKB/
Swiss-Prot/TrEMBL
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AffyNet
Ki
IC50
Kd
EC50
k
off
k
on
other
ITC
SDF
TSV
1
ARK1
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
2
AURKA
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
3
Aurora kinase A (AURA)
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
4
Aurora kinase A (AURKA)
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
5
Aurora kinase A (Aurora A)
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
6
Aurora kinase A (Aurora-2)
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
7
Aurora kinase A/Targeting protein for Xklp2
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
8
aurora-2
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
9
Aurora-related kinase 1
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
10
Breast tumor-amplified kinase
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
11
Breast-tumor-amplified kinase
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
12
BTAK
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
13
hARK1
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
14
Serine/threonine kinase 15
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
15
Serine/threonine-protein kinase Aurora
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
16
Serine/threonine-protein kinase aurora A
204
203
2949
235
3
0
0
1
10
0
250
7
2D
3D
TSV
Sub total
3264
3248
47184
3760
48
0
0
16
160
0
Total
54256