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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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3D Structure Series
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Citation
Author
Journal/Citation
Institution
PubMed
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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
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Targets Binding with 1212 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
5-HT-1D
139
1097
418
2
200
0
0
0
0
0
166
3
2D
3D
TSV
2
5-HT-1D-alpha
133
1070
393
2
193
0
0
0
0
0
157
1
2D
3D
TSV
3
5-HT1D
147
1125
423
2
206
0
0
0
0
0
171
6
2D
3D
TSV
4
5-hydroxytryptamine receptor 1D
143
1118
423
2
206
0
0
0
0
0
169
6
2D
3D
TSV
5
5-hydroxytryptamine receptor 1D (5-HT1D)
133
1070
393
2
193
0
0
0
0
0
157
1
2D
3D
TSV
6
PLK1
233
107
1028
133
278
0
0
0
0
0
140
4
2D
3D
TSV
7
polo-like kinase
233
107
1028
133
278
0
0
0
0
0
140
4
2D
3D
TSV
8
Polo-like kinase 1 (Plk-1)
233
107
1028
133
278
0
0
0
0
0
140
4
2D
3D
TSV
9
Polo-like kinase 1 (PlK1)
233
107
1028
133
278
0
0
0
0
0
140
4
2D
3D
TSV
10
Serine/threonine-protein kinase (PLK1)
233
107
1028
133
278
0
0
0
0
0
140
4
2D
3D
TSV
11
Serine/threonine-protein kinase 13
245
121
1081
291
278
0
0
0
0
0
167
10
2D
3D
TSV
12
Serine/threonine-protein kinase PLK1
233
107
1028
133
278
0
0
0
0
0
140
4
2D
3D
TSV
13
Serine/threonine-protein kinase PLK1
233
107
1028
133
278
0
0
0
0
0
140
4
2D
3D
TSV
14
Serotonin receptor 1D
23
27
25
0
7
0
0
0
0
0
11
1
2D
3D
TSV
15
STPK13
233
107
1028
133
278
0
0
0
0
0
140
4
2D
3D
TSV
Sub total
2827
6484
11380
1365
3507
0
0
0
0
0
Total
22736