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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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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 28 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
Bcr-Abl
IC50:
27
1
0
2D
3D
TSV
CAH2
Ki:
28
1
1
2D
3D
TSV
Carbonic anhydrase 2, isoform A
Ki:
28
1
1
2D
3D
TSV
CDK-interacting protein 1
IC50:
56
1
5
2D
3D
TSV
Chain B, Rna Aptamer Complexed With Hiv-1 Rev Peptide, Nmr, 7 Structures
IC50:
28
1
0
2D
3D
TSV
Dihydrodipicolinate synthase
Ki:
12
IC50:
18
3
6
2D
3D
TSV
Dmel_CG6906
Ki:
28
1
1
2D
3D
TSV
EF-2
IC50:
10
EC50:
18
2
7
2D
3D
TSV
G protein-coupled receptor GPR35
EC50:
28
1
1
2D
3D
TSV
Glucose-6-phosphatase
IC50:
28
4
7
2D
3D
TSV
hPanK3
IC50:
25
EC50:
4
1
5
2D
3D
TSV
Integrin alpha2beta1
IC50:
33
1
1
2D
3D
TSV
LD26647p
Ki:
28
1
1
2D
3D
TSV
M
IC50:
11
1
5
2D
3D
TSV
Matrix protein 2
IC50:
34
4
6
2D
3D
TSV
nAChR subtypes alpha2 beta4
Ki:
29
IC50:
1
5
2
2D
3D
TSV
Neuronal acetylcholine receptor protein alpha-2/beta-4 subunit
Ki:
29
IC50:
1
5
2
2D
3D
TSV
Non-structural protein 5A (NS5A)(Y93H)
EC50:
42
2
0
2D
3D
TSV
NR2B Channel Blocker
Ki:
18
IC50:
17
EC50:
14
4
1
2D
3D
TSV
PANK3
IC50:
25
EC50:
4
1
5
2D
3D
TSV
Pantothenate kinase 3
IC50:
25
EC50:
4
1
5
2D
3D
TSV
Pantothenic acid kinase 3
IC50:
25
EC50:
4
1
5
2D
3D
TSV
Plasmepsin V
IC50:
29
1
2
2D
3D
TSV
Proton channel protein M2
IC50:
11
1
5
2D
3D
TSV
SARS Coronavirus Coronavirus Papain-Like Protease
Ki:
1
IC50:
26
Kd:
2
Other:
4
2
0
2D
3D
TSV
SARS-CoV papain-like protease (SARS-PLpro)
Ki:
1
IC50:
26
Kd:
2
Other:
4
2
0
2D
3D
TSV
SARS-CoV PLpro
Ki:
1
IC50:
26
Kd:
2
Other:
4
2
0
2D
3D
TSV
Serine protease NS5A (Y93H)
EC50:
42
2
0
2D
3D
TSV
STAM-binding protein (AMSH)
IC50:
1
1
5
2D
3D
TSV
Sterol regulatory element-binding protein 2
IC50:
30
2
6
2D
3D
TSV
Thiopurine S-methyltransferase
IC50:
27
Kd:
1
2
14
2D
3D
TSV
Urea Amidohydrolase Subunit alpha
IC50:
29
2
1
2D
3D
TSV
UreC
IC50:
29
2
1
2D
3D
TSV