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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
Contribute data
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Targets Binding with 2191 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
Cathepsin (L and K)
379
578
1800
0
7
0
0
0
0
0
137
4
2D
3D
TSV
2
cathepsin L preproprotein
379
578
1800
0
7
0
0
0
0
0
137
4
2D
3D
TSV
3
Cathepsin L1
379
578
1800
0
7
0
0
0
0
0
137
4
2D
3D
TSV
4
EDG6
79
11
259
0
252
0
0
0
0
0
50
3
2D
3D
TSV
5
Endothelial differentiation G-protein coupled receptor 6
79
11
259
0
252
0
0
0
0
0
50
3
2D
3D
TSV
6
Major excreted protein
379
578
1800
0
7
0
0
0
0
0
137
4
2D
3D
TSV
7
MEP
379
578
1800
0
7
0
0
0
0
0
137
4
2D
3D
TSV
8
S1P receptor 4
79
11
259
0
252
0
0
0
0
0
50
3
2D
3D
TSV
9
S1P receptor Edg-6
79
11
259
0
252
0
0
0
0
0
50
3
2D
3D
TSV
10
S1P4
79
11
259
0
252
0
0
0
0
0
50
3
2D
3D
TSV
11
Sphingosine 1-Phosphate Receptor 4
79
11
259
0
252
0
0
0
0
0
50
3
2D
3D
TSV
12
Sphingosine 1-phosphate receptor Edg-6
79
11
259
0
252
0
0
0
0
0
50
3
2D
3D
TSV
13
sphingosine-1-phosphate 4 S1P4
79
11
259
0
252
0
0
0
0
0
50
3
2D
3D
TSV
14
Sphingosine-1-phosphate receptor 4
79
11
259
0
252
0
0
0
0
0
50
3
2D
3D
TSV
Sub total
2606
2989
11331
0
2303
0
0
0
0
0
Total
16623