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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
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Important Compounds
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Name
SMILES
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/
Targets
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100%
Seq ID
UniProtKB/Swiss-Prot
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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 80 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
Activin receptor type-2A
IC50:
1
Kd:
119
5
8
2D
3D
TSV
ACVR2A
IC50:
1
Kd:
119
5
8
2D
3D
TSV
Aldehyde dehydrogenase 1A1 (ALDH1A1)
Ki:
12
IC50:
82
7
4
2D
3D
TSV
Aldehyde dehydrogenase family 1 member A1
Ki:
12
IC50:
82
7
4
2D
3D
TSV
Aldehyde dehydrogenase family 1 member A1 (ALDH1A1)
Ki:
12
IC50:
82
7
4
2D
3D
TSV
Aldehyde dehydrogenase, cytosolic
Ki:
12
IC50:
82
7
4
2D
3D
TSV
ALDH-E1
Ki:
12
IC50:
82
7
4
2D
3D
TSV
ALHDII
Ki:
12
IC50:
82
7
4
2D
3D
TSV
ANKK1
Kd:
126
4
1
2D
3D
TSV
Ankyrin repeat and protein kinase domain-containing protein 1
Kd:
126
4
1
2D
3D
TSV
Calpain 1/small subunit 1
Ki:
45
IC50:
35
4
2
2D
3D
TSV
CASP-11
IC50:
1
1
6
2D
3D
TSV
CASP-4
Ki:
30
IC50:
37
9
16
2D
3D
TSV
Caspase-11
IC50:
1
1
6
2D
3D
TSV
Caspase-4
Ki:
30
IC50:
37
9
16
2D
3D
TSV
Caspase-4 subunit p10
IC50:
1
1
6
2D
3D
TSV
Caspase-4 subunit p20
IC50:
1
1
6
2D
3D
TSV
CDC2L2
Kd:
125
5
23
2D
3D
TSV
CDC2L3
Kd:
125
5
23
2D
3D
TSV
CDK11A
Kd:
125
5
23
2D
3D
TSV
Cell division cycle 2-like protein kinase 2
Kd:
125
5
23
2D
3D
TSV
Cell division protein kinase 11A
Kd:
125
5
23
2D
3D
TSV
Cyclin-dependent kinase 11A
Kd:
125
5
23
2D
3D
TSV
Galactosyl-ransferase-associated protein kinase p58/GTA
Kd:
125
5
23
2D
3D
TSV
Glandular kallikrein
Ki:
81
3
1
2D
3D
TSV
Heat shock factor protein 1
IC50:
54
EC50:
55
4
5
2D
3D
TSV
Liver X Receptor beta (LXR-beta)
IC50:
90
EC50:
78
5
0
2D
3D
TSV
Lysosomal phospholipase A1
IC50:
80
4
1
2D
3D
TSV
MYO3A
Kd:
119
4
6
2D
3D
TSV
Myosin IIIA
Kd:
119
4
6
2D
3D
TSV
Nuclear orphan receptor LXR-beta
IC50:
90
EC50:
78
5
0
2D
3D
TSV
Nuclear receptor NER
IC50:
90
EC50:
78
5
0
2D
3D
TSV
Nuclear receptor subfamily 1 group H member 2
IC50:
90
EC50:
78
5
0
2D
3D
TSV
P2RY10
EC50:
94
1
5
2D
3D
TSV
P2Y10
EC50:
142
2
8
2D
3D
TSV
PITSLRE serine/threonine-protein kinase CDC2L2
Kd:
125
5
23
2D
3D
TSV
PITSLREB
Kd:
125
5
23
2D
3D
TSV
Protease ICH-3
Ki:
24
IC50:
82
9
16
2D
3D
TSV
Putative P2Y purinoceptor 10
EC50:
142
2
8
2D
3D
TSV
RALDH 1
Ki:
12
IC50:
82
7
4
2D
3D
TSV
RalDH1
Ki:
12
IC50:
82
7
4
2D
3D
TSV
Retinal dehydrogenase 1
Ki:
12
IC50:
82
7
4
2D
3D
TSV
Serine/threonine-protein kinase 32C
IC50:
1
Kd:
117
4
4
2D
3D
TSV
Serine/threonine-protein kinase LATS2
IC50:
1
Kd:
117
4
4
2D
3D
TSV
Serine/threonine-protein kinase ULK2
IC50:
7
Kd:
79
5
4
2D
3D
TSV
Toll-like receptor 2
Ki:
5
IC50:
19
EC50:
70
9
8
2D
3D
TSV
Toll-like receptor 2 (TLR2)
Ki:
5
IC50:
19
EC50:
70
9
8
2D
3D
TSV
Ubiquitously-expressed nuclear receptor
IC50:
90
EC50:
78
5
0
2D
3D
TSV
Unc-51-like kinase 2
IC50:
7
Kd:
79
5
4
2D
3D
TSV