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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
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Name
SMILES
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/
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Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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Targets Binding with 127 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
5''-AMP-activated protein kinase catalytic subunit alpha-1 (AMPKa1)
IC50:
8
Kd:
132
EC50:
40
19
8
2D
3D
TSV
5''-AMP-activated protein kinase subunit alpha-1
IC50:
8
Kd:
132
EC50:
40
19
8
2D
3D
TSV
AMP-activated protein kinase, alpha-1 subunit
IC50:
8
Kd:
132
EC50:
41
20
9
2D
3D
TSV
AMPK alpha1/alpha2
IC50:
8
Kd:
132
EC50:
40
19
8
2D
3D
TSV
AMPK subunit alpha-1
IC50:
8
Kd:
132
EC50:
40
19
8
2D
3D
TSV
AMPK-alpha1
IC50:
8
Kd:
132
EC50:
40
19
8
2D
3D
TSV
ARK5
Ki:
1
IC50:
44
Kd:
125
23
4
2D
3D
TSV
Farnesyltran-transferase
Ki:
12
IC50:
162
15
5
2D
3D
TSV
GABA A alpha1
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
GABA A anti-Alpha1
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
GABA A Benzodiazepine
Ki:
286
IC50:
4
EC50:
3
49
6
2D
3D
TSV
GABA A Benzodiazepine omega1
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
GABA A Benzodiazepine omega2
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
GABA A Benzodiazepine omega5
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
GABA A Benzodiazepine Type I
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
GABA A Benzodiazepine Type II
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
GABA A Benzodiazepine Type IIL
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
GABA A Benzodiazepine Type IIM
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
GABA, Chloride, TBOB
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
GABA-PICROTOXIN
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)
Ki:
276
IC50:
4
EC50:
3
49
5
2D
3D
TSV
Geranylgeranyl diphosphate synthase
Ki:
12
IC50:
162
15
5
2D
3D
TSV
Geranylgeranyl diphosphate synthase (GGPPS)
Ki:
8
IC50:
9
2
3
2D
3D
TSV
Geranylgeranyl pyrophosphate synthetase
Ki:
12
IC50:
162
15
5
2D
3D
TSV
GGPP synthetase
Ki:
12
IC50:
162
15
5
2D
3D
TSV
GGPPSase
Ki:
12
IC50:
162
15
5
2D
3D
TSV
HIV-1 Integrase
IC50:
129
6
0
2D
3D
TSV
LPA receptor 2
Ki:
6
IC50:
72
EC50:
60
16
4
2D
3D
TSV
LPA-2
Ki:
6
IC50:
72
EC50:
60
16
4
2D
3D
TSV
Lysophosphatidic acid receptor 2
Ki:
6
IC50:
72
EC50:
60
16
4
2D
3D
TSV
Lysophosphatidic acid receptor Edg-4
Ki:
6
IC50:
72
EC50:
60
16
4
2D
3D
TSV
NUAK family SNF1-like kinase 1
Ki:
1
IC50:
44
Kd:
125
23
4
2D
3D
TSV
PKN2
Ki:
2
IC50:
50
Kd:
124
23
8
2D
3D
TSV
Protein HSP-16.2
IC50:
127
1
1
2D
3D
TSV
Protein kinase C-like 2
Ki:
2
IC50:
50
Kd:
124
23
8
2D
3D
TSV
Protein kinase N2
Ki:
2
IC50:
50
Kd:
124
23
8
2D
3D
TSV
Protein-kinase C-related kinase 2
Ki:
2
IC50:
50
Kd:
124
23
8
2D
3D
TSV
Serine/threonine-protein kinase N2
Ki:
2
IC50:
50
Kd:
124
23
8
2D
3D
TSV
Solute carrier organic anion transporter family member 1B1
Ki:
89
IC50:
141
18
7
2D
3D
TSV
Solute carrier organic anion transporter family member 1B1 (OATP1B1)
Ki:
89
IC50:
141
18
7
2D
3D
TSV
Thromboxane B2
Ki:
89
IC50:
141
18
7
2D
3D
TSV