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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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Author
Journal/Citation
Institution
PubMed
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Special Data Sets
D3R
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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°
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Deposition
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Targets Binding with 2654 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
Angiotensin II AT1
295
203
824
34
89
0
0
0
0
0
65
6
2D
3D
TSV
2
Angiotensin II type 1b (AT-1b) receptor
294
212
1137
11
89
0
0
0
0
0
76
5
2D
3D
TSV
3
AT1
292
101
870
12
89
0
0
0
0
0
54
5
2D
3D
TSV
4
AT1AR
292
101
787
11
89
0
0
0
0
0
51
4
2D
3D
TSV
5
AT1BR
292
101
787
11
89
0
0
0
0
0
51
4
2D
3D
TSV
6
Type-1 angiotensin II receptor (AT1)
292
101
787
11
89
0
0
0
0
0
51
4
2D
3D
TSV
Sub total
1757
819
5192
90
534
0
0
0
0
0
Total
6635