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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
PubChem BioAssay
US Patent
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
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Targets Binding with 5446 Compounds
Target Name
Commercially
Available
Compounds
Protein/Small Molecule
Other
Articles
UniProtKB/
Swiss-Prot/TrEMBL
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AffyNet
Ki
IC50
Kd
EC50
k
off
k
on
other
ITC
SDF
TSV
1
DA transporter
313
3982
4376
27
98
0
0
0
0
0
528
8
2D
3D
TSV
2
DAT
167
1718
1905
20
38
0
0
0
0
0
298
7
2D
3D
TSV
3
SLC6A3
22
87
25
0
0
0
0
0
0
0
13
6
2D
3D
TSV
4
Sodium-dependent dopamine transporter
323
3999
4389
27
98
0
0
0
0
0
535
9
2D
3D
TSV
5
Solute carrier family 6 member 3
167
1718
1905
20
38
0
0
0
0
0
298
7
2D
3D
TSV
Sub total
992
11504
12600
94
272
0
0
0
0
0
Total
24470