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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
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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°
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Deposition
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Targets Binding with 114 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
Acute myeloid leukemia 1 protein
IC50:
227
Other:
6
5
0
2D
3D
TSV
ADENOSINE
Ki:
2
IC50:
160
8
4
2D
3D
TSV
Adenosine 5-phosphotransferase
Ki:
2
IC50:
160
8
4
2D
3D
TSV
Adenosine A2a receptor
Ki:
116
IC50:
1
EC50:
1
9
4
2D
3D
TSV
Adenosine Kinase (AK)
Ki:
2
IC50:
160
8
4
2D
3D
TSV
BCAT(m)
IC50:
150
4
7
2D
3D
TSV
BCAT2
IC50:
150
4
7
2D
3D
TSV
BCATM
IC50:
150
4
7
2D
3D
TSV
BCT2
IC50:
150
4
7
2D
3D
TSV
Branched-chain-amino-acid aminotransferase, mitochondrial
IC50:
150
4
7
2D
3D
TSV
CBF-alpha-2
IC50:
227
Other:
6
5
0
2D
3D
TSV
Cdc25C
Ki:
7
IC50:
93
13
8
2D
3D
TSV
Core-binding factor subunit alpha-2
IC50:
227
Other:
6
5
0
2D
3D
TSV
Dual specificity phosphatase Cdc25C
Ki:
7
IC50:
93
13
8
2D
3D
TSV
ECA40
IC50:
150
4
7
2D
3D
TSV
GABA
Ki:
95
IC50:
72
23
7
2D
3D
TSV
IMP dehydrogenase 1
Ki:
96
IC50:
40
EC50:
1
21
13
2D
3D
TSV
IMPD 1
Ki:
96
IC50:
40
EC50:
1
21
13
2D
3D
TSV
IMPDH-I
Ki:
96
IC50:
40
EC50:
1
21
13
2D
3D
TSV
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)
Ki:
96
IC50:
40
EC50:
1
21
13
2D
3D
TSV
Inosine-5''-monophosphate dehydrogenase 1
Ki:
96
IC50:
40
EC50:
1
21
13
2D
3D
TSV
M-phase inducer phosphatase 3
Ki:
7
IC50:
93
13
8
2D
3D
TSV
Oncogene AML-1
IC50:
227
Other:
6
5
0
2D
3D
TSV
Phosphatid-linositol 4-phosphate 5-kinase type I gamma
IC50:
42
Kd:
72
2
6
2D
3D
TSV
Phosphatid-linositol 4-phosphate 5-kinase type-1 gamma
IC50:
42
Kd:
72
2
6
2D
3D
TSV
Phosphatid-linositol-4-phosphate 5-kinase type-1 gamma
IC50:
42
Kd:
72
2
6
2D
3D
TSV
PIP5K1-gamma
IC50:
42
Kd:
72
2
6
2D
3D
TSV
PIP5KIgamma
IC50:
42
Kd:
72
2
6
2D
3D
TSV
Placental protein 18
IC50:
150
4
7
2D
3D
TSV
Polyomavirus enhancer-binding protein 2 alpha B subunit
IC50:
227
Other:
6
5
0
2D
3D
TSV
PP18
IC50:
150
4
7
2D
3D
TSV
PtdIns(4)P-5-kinase 1 gamma
IC50:
42
Kd:
72
2
6
2D
3D
TSV
Runt-Related Transcription Factor 1 Isoform AML1C
IC50:
227
Other:
6
5
0
2D
3D
TSV