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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Monomer List in csv
Het List in SDF
Compound
Chemical Structure
Name
SMILES
Number of Data
/
Targets
Data Source
Author
Institution
PubMed
PubChem BioAssay
Other Databases
PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
Download
All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Virtual Screening
Forum
Enter Data
ITC
Enzyme Inhibition
Continue Deposition
Sent Comments
List of Compound Names by the Number of Target
Number of Binding Targets
per Compound
Number of Compounds
1
22250
2
7181
3
2864
4
1690
5
466
6
127
7
72
8
125
9
30
10
14
11
25
12
34
13
21
14
19
15
6
16
1
17
4
18
5
19
2
20
2
22
3
23
1
24
2
25
3
26
2
27
1
28
2
29
1
34
1
35
2
36
1
38
1
40
2
48
1
52
1