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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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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 2958 Compounds
Target Name
Commercially
Available
Compounds
Protein/Small Molecule
Other
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UniProtKB/
Swiss-Prot/TrEMBL
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myBDB
AffyNet
Ki
IC50
Kd
EC50
k
off
k
on
other
ITC
SDF
TSV
1
39 kDa protein kinase
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
2
Aurora kinase A
204
205
3005
235
3
0
0
1
10
0
252
11
2D
3D
TSV
3
Aurora Kinase A (Aurora-A)
5
2
56
0
0
0
0
0
0
0
5
5
2D
3D
TSV
4
Aurora-family kinase 1
5
2
56
0
0
0
0
0
0
0
5
5
2D
3D
TSV
5
Aurora/IPL1-related kinase 1
204
205
3005
235
3
0
0
1
10
0
252
11
2D
3D
TSV
6
CAK1
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
7
CDK-activating kinase
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
8
CDK-activating kinase 1 (CAK)
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
9
CDK7
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
10
Cell division protein kinase 7
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
11
Cyclin-dependent kinase 7
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
12
Cyclin-dependent kinase 7 (CDK7/cyclin H)
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
13
P39 Mo15
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
14
Serine/threonine-protein kinase 6
204
205
3005
235
3
0
0
1
10
0
252
11
2D
3D
TSV
15
Serine/threonine-protein kinase Aurora-A
204
205
3005
235
3
0
0
1
10
0
252
11
2D
3D
TSV
16
Serine/threonine-protein kinase Ayk1
5
2
56
0
0
0
0
0
0
0
5
5
2D
3D
TSV
17
STK1
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
18
TFIIH basal transcription factor complex kinase subunit
96
32
120
135
0
0
0
0
0
0
39
4
2D
3D
TSV
Sub total
1887
1178
13508
2425
12
0
0
4
40
0
Total
17127