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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
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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 7124 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
3.4.23.46
0
0
1
0
0
0
0
0
0
0
1
0
2D
3D
TSV
2
Asp 2
1
7
59
0
0
0
0
1
0
0
6
1
2D
3D
TSV
3
ASP2
1
7
59
0
0
0
0
1
0
0
6
1
2D
3D
TSV
4
Aspartyl protease 2
190
1817
7927
63
286
0
0
4
0
0
324
12
2D
3D
TSV
5
Bace
0
0
2
0
0
0
0
0
0
0
1
1
2D
3D
TSV
6
BACE1
190
1808
7860
63
286
0
0
3
0
0
319
11
2D
3D
TSV
7
beta-Secretase (BACE-1)
190
1817
7924
63
286
0
0
4
0
0
323
11
2D
3D
TSV
8
beta-Secretase (BACE1)
190
1808
7859
63
286
0
0
3
0
0
318
11
2D
3D
TSV
9
Beta-secretase 1 (BACE 1)
190
1808
7859
63
286
0
0
3
0
0
318
11
2D
3D
TSV
10
Beta-secretase 1 (BACE-1)
190
1808
7859
63
286
0
0
3
0
0
318
11
2D
3D
TSV
11
Beta-site amyloid precursor protein cleaving enzyme 1
190
1817
7927
63
286
0
0
4
0
0
324
12
2D
3D
TSV
12
Beta-site APP cleaving enzyme 1
1
7
59
0
0
0
0
1
0
0
6
1
2D
3D
TSV
13
KIAA1149
0
0
1
0
0
0
0
0
0
0
1
0
2D
3D
TSV
14
Memapsin-2
190
1815
7918
63
286
0
0
4
0
0
323
12
2D
3D
TSV
15
Membrane-associated aspartic protease 2
1
9
68
0
0
0
0
1
0
0
7
1
2D
3D
TSV
Sub total
1524
14528
63382
504
2288
0
0
32
0
0
Total
80734