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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
Sent Comments
Targets Binding with 601 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
Adrenergic Alpha
33
931
79
0
0
0
0
0
0
0
62
9
2D
3D
TSV
2
hOCT1
1
7
75
0
0
0
0
0
0
0
10
7
2D
3D
TSV
3
Kallikrein 1
5
132
406
0
0
0
0
0
0
0
37
9
2D
3D
TSV
4
Kallikrein-1
5
121
406
0
0
0
0
0
0
0
36
9
2D
3D
TSV
5
Kallikrein-1 (KLK1)
5
121
406
0
0
0
0
0
0
0
36
9
2D
3D
TSV
6
Kidney/pancreas/salivary gland kallikrein
5
121
406
0
0
0
0
0
0
0
36
9
2D
3D
TSV
7
Neuronal nitric oxide synthase (nNOS)
64
456
271
4
0
0
0
0
0
0
74
3
2D
3D
TSV
8
Neuronal nitric oxide synthase mutant (D597N)
0
8
0
0
0
0
0
0
0
0
2
0
2D
3D
TSV
9
Nitric oxide synthase (nNOS)
64
456
271
4
0
0
0
0
0
0
74
3
2D
3D
TSV
10
Nitric Oxide Synthase, brain Mutant (D597N)
0
8
0
0
0
0
0
0
0
0
2
0
2D
3D
TSV
11
Nitrogen oxide synthase - neuronal
64
456
271
4
0
0
0
0
0
0
74
3
2D
3D
TSV
12
NOS
64
456
271
4
0
0
0
0
0
0
74
3
2D
3D
TSV
13
Tissue kallikrein
9
202
406
0
0
0
0
0
0
0
39
10
2D
3D
TSV
Sub total
319
3475
3268
16
0
0
0
0
0
0
Total
6759