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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 Data
Number of Binding Data
per Compound
Number of Compounds
1
19718
2
8328
3
3136
4
2070
5
802
6
299
7
105
8
180
9
79
10
21
11
30
12
49
13
16
14
29
15
12
16
18
17
9
18
7
19
4
20
4
21
2
22
2
23
3
24
3
25
6
26
2
27
3
28
4
29
2
33
1
34
1
35
1
36
1
37
1
40
2
42
2
43
2
45
2
47
2
49
1
50
1
54
1
78
2