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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
PubChem BioAssay
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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
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Targets Binding with 2336 Compounds
Target Name
Commercially
Available
Compounds
Protein/Small Molecule
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Swiss-Prot/TrEMBL
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AffyNet
Ki
IC50
Kd
EC50
k
off
k
on
other
ITC
SDF
TSV
1
ADAM 17
0
108
369
0
0
0
0
0
0
0
28
3
2D
3D
TSV
2
ADAM17
232
409
2432
0
0
0
0
0
0
0
121
10
2D
3D
TSV
3
CD_antigen=CD156b
0
0
8
0
0
0
0
0
0
0
1
1
2D
3D
TSV
4
Cholinergic, Nicotinic Alpha7
149
1834
359
13
657
0
0
0
0
0
176
11
2D
3D
TSV
5
Cholinergic, Nicotinic Alpha7/5-HT3
84
1311
225
2
240
0
0
0
0
0
109
3
2D
3D
TSV
6
Disintegrin and metalloproteinase domain-containing protein 17
232
387
2071
0
0
0
0
0
0
0
108
9
2D
3D
TSV
7
Neuronal acetylcholine receptor
90
1740
264
2
241
0
0
0
0
0
123
7
2D
3D
TSV
8
Neuronal acetylcholine receptor (alpha7 nAChR)
84
1311
225
2
240
0
0
0
0
0
109
3
2D
3D
TSV
9
Neuronal acetylcholine receptor subunit alpha 7
84
1311
225
2
240
0
0
0
0
0
109
3
2D
3D
TSV
10
Neuronal acetylcholine receptor subunit alpha-7
149
1834
360
13
658
0
0
0
0
0
177
13
2D
3D
TSV
11
Neuronal acetylcholine receptor subunit alpha-7 (nAChR alpha7)
84
1311
225
2
240
0
0
0
0
0
109
3
2D
3D
TSV
12
Neuronal acetylcholine receptor subunit alpha-7 (nAChR)
84
1311
225
2
240
0
0
0
0
0
109
3
2D
3D
TSV
Sub total
1272
12867
6988
38
2756
0
0
0
0
0
Total
22649