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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
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Citation
Author
Journal/Citation
Institution
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PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
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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 59 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
BDKRB1
Ki:
19
IC50:
23
Kd:
22
EC50:
2
13
4
2D
3D
TSV
CBX4
IC50:
47
Kd:
6
3
5
2D
3D
TSV
Chromobox protein homolog 4
IC50:
47
Kd:
6
3
5
2D
3D
TSV
Disks large homolog 4
Ki:
130
2
6
2D
3D
TSV
Dual specificity phosphatase 22
Ki:
1
IC50:
59
9
6
2D
3D
TSV
Dual specificity protein phosphatase (MKPX)
Ki:
1
IC50:
59
9
6
2D
3D
TSV
Dual specificity protein phosphatase 22
Ki:
1
IC50:
59
9
6
2D
3D
TSV
Dual specificity protein phosphatase 22 (VHX)
Ki:
1
IC50:
59
9
6
2D
3D
TSV
Dual specificity protein phosphatase VHX (VHX)
Ki:
1
IC50:
59
9
6
2D
3D
TSV
E3 SUMO-protein ligase CBX4
IC50:
47
Kd:
6
3
5
2D
3D
TSV
G-protein coupled receptor 109B
IC50:
4
EC50:
63
7
6
2D
3D
TSV
G-protein coupled receptor HM74
IC50:
4
EC50:
63
7
6
2D
3D
TSV
G-protein coupled receptor HM74B
IC50:
4
EC50:
63
7
6
2D
3D
TSV
GABA A Alpha3Beta3Gamma2
Ki:
44
EC50:
23
8
3
2D
3D
TSV
GABA C
Ki:
44
EC50:
23
8
3
2D
3D
TSV
GST-Lysine Specific Demethylase-1 (LSD1)
Ki:
11
IC50:
59
1
1
2D
3D
TSV
HCA3
IC50:
4
EC50:
63
7
6
2D
3D
TSV
HCAR3
IC50:
4
EC50:
63
7
6
2D
3D
TSV
HM74B
IC50:
4
EC50:
63
7
6
2D
3D
TSV
hPc2
IC50:
47
Kd:
6
3
5
2D
3D
TSV
Hydroxycarboxylic acid receptor 3
IC50:
4
EC50:
63
7
6
2D
3D
TSV
KB1
Ki:
19
IC50:
23
Kd:
22
EC50:
2
13
4
2D
3D
TSV
Kinin B1 receptor
Ki:
19
IC50:
23
Kd:
22
EC50:
2
13
4
2D
3D
TSV
Mitogen-activated protein kinase phosphatase x
Ki:
1
IC50:
59
9
6
2D
3D
TSV
MYB
IC50:
118
1
4
2D
3D
TSV
Neuromedin-U receptor 2
EC50:
70
4
7
2D
3D
TSV
Niacin receptor 2
IC50:
4
EC50:
63
7
6
2D
3D
TSV
NIACR2
IC50:
4
EC50:
63
7
6
2D
3D
TSV
Nicotinic acid receptor 2
IC50:
4
EC50:
63
7
6
2D
3D
TSV
NMU-R2
EC50:
70
4
7
2D
3D
TSV
NMUR2
EC50:
41
4
5
2D
3D
TSV
PC2
Ki:
7
2
10
2D
3D
TSV
Polycomb 2 homolog
IC50:
47
Kd:
6
3
5
2D
3D
TSV
Proto-oncogene c-Myb
IC50:
118
1
4
2D
3D
TSV
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)
Ki:
5
IC50:
50
Kd:
3
EC50:
5
8
0
2D
3D
TSV
Transcriptional activator Myb
IC50:
118
1
4
2D
3D
TSV
VHX
Ki:
1
IC50:
59
9
6
2D
3D
TSV