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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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PDB
85%
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 121 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
Arg1
IC50:
1
1
3
2D
3D
TSV
Arginase-1
Ki:
8
IC50:
121
Kd:
6
9
10
2D
3D
TSV
Choline kinase alpha
IC50:
124
Kd:
23
9
3
2D
3D
TSV
DOT1-like protein
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
DOT1-like protein (Dot1L)
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
DOT1L
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
H3-K79-HMTase
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
Histamine receptor H3
Ki:
127
8
1
2D
3D
TSV
Histone H3-K79 methyltransferase
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
Histone H3-K79 methyltransferase (DOT1L)
Ki:
101
IC50:
60
Kd:
20
EC50:
4
Koff:
4
Kon:
4
15
4
2D
3D
TSV
Histone Methyltransferase DOT1L
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
Histone-lysine N-methyltransferase, H3 lysine-79 specific
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
Histone-lysine N-methyltransferase, H3 lysine-79 specific (DOT1L)
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
KIAA1814
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
KMT4
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
Liver-type arginase
Ki:
2
IC50:
2
2
4
2D
3D
TSV
Lysine N-methyltransferase 4
Ki:
101
IC50:
51
Kd:
20
EC50:
4
Koff:
4
Kon:
4
14
4
2D
3D
TSV
Mammalian STE20-like protein kinase 2
Ki:
2
IC50:
38
Kd:
133
30
7
2D
3D
TSV
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)
IC50:
121
1
0
2D
3D
TSV
MST-2
Ki:
2
IC50:
38
Kd:
133
30
7
2D
3D
TSV
Serine/threonine-protein kinase 3
Ki:
2
IC50:
38
Kd:
133
30
7
2D
3D
TSV
Serine/threonine-protein kinase 3 (MST2)
Ki:
2
IC50:
38
Kd:
133
30
7
2D
3D
TSV
Serine/threonine-protein kinase Krs-1
Ki:
2
IC50:
38
Kd:
133
30
7
2D
3D
TSV
STE20-Like Kinase MST2
Ki:
2
IC50:
38
Kd:
133
30
7
2D
3D
TSV
STK3
Ki:
2
IC50:
38
Kd:
133
30
7
2D
3D
TSV
Type I arginase
Ki:
2
IC50:
2
2
4
2D
3D
TSV