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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
Chemical Structure
Name
SMILES
Number of Data
/
Targets
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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 62 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
β-Carbonic anhydrase 2 (CA 2)
Ki:
66
4
5
2D
3D
TSV
3.4.25.1
IC50:
5
1
7
2D
3D
TSV
ADAM9
Ki:
1
IC50:
65
10
5
2D
3D
TSV
Akp5
IC50:
1
1
3
2D
3D
TSV
Alkaline phosphatase 5
IC50:
1
1
3
2D
3D
TSV
Alkaline phosphatase, placental-like
IC50:
1
1
3
2D
3D
TSV
Alppl2
IC50:
1
1
3
2D
3D
TSV
CAH1
Ki:
28
1
1
2D
3D
TSV
Carbonic anhydrase 1
Ki:
63
2
3
2D
3D
TSV
Carboxypeptidase B
Ki:
36
IC50:
40
5
4
2D
3D
TSV
Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9)
Ki:
1
IC50:
65
10
5
2D
3D
TSV
Dmel_CG7820
Ki:
28
1
1
2D
3D
TSV
DNA topoisomerase III
Ki:
132
3
3
2D
3D
TSV
EAP
Ki:
62
IC50:
1
5
6
2D
3D
TSV
Embryonic alkaline phosphatase
IC50:
1
1
3
2D
3D
TSV
Embryonic-type alkaline phosphatase
IC50:
1
1
3
2D
3D
TSV
ERR beta-2
Ki:
12
IC50:
51
EC50:
2
6
7
2D
3D
TSV
ERR-beta
Ki:
12
IC50:
51
EC50:
2
6
7
2D
3D
TSV
ERRB2
Ki:
12
IC50:
20
3
7
2D
3D
TSV
ESRL2
Ki:
12
IC50:
20
3
7
2D
3D
TSV
ESRRB
Ki:
12
IC50:
20
3
7
2D
3D
TSV
Estrogen receptor-like 2
Ki:
12
IC50:
51
EC50:
2
6
7
2D
3D
TSV
Estrogen-related receptor beta
Ki:
12
IC50:
51
EC50:
2
6
7
2D
3D
TSV
G protein-coupled receptor kinase 6
IC50:
5
4
4
2D
3D
TSV
GH09688p
Ki:
28
1
1
2D
3D
TSV
Histone-lysine N-methyltransferase EZH2 (A677G)
IC50:
62
1
0
2D
3D
TSV
Histone-lysine N-methyltransferase EZH2 (A687V)
IC50:
62
1
0
2D
3D
TSV
IleRS
IC50:
19
2
1
2D
3D
TSV
Isoleucine--tRNA ligase
Ki:
21
IC50:
42
5
5
2D
3D
TSV
Lmp7
IC50:
5
1
7
2D
3D
TSV
Low molecular mass protein 7
Ki:
14
IC50:
61
7
13
2D
3D
TSV
Macropain subunit C13
Ki:
14
IC50:
61
7
13
2D
3D
TSV
Matrix metalloproteinase 16
Ki:
15
IC50:
51
14
5
2D
3D
TSV
Matrix metalloproteinase-16
Ki:
15
IC50:
51
14
5
2D
3D
TSV
Mc13
IC50:
5
1
7
2D
3D
TSV
Membrane-type matrix metalloproteinase 3
Ki:
15
IC50:
51
14
5
2D
3D
TSV
Membrane-type-3 matrix metalloproteinase
Ki:
15
IC50:
51
14
5
2D
3D
TSV
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)
IC50:
64
1
0
2D
3D
TSV
MMP-16
Ki:
15
IC50:
51
14
5
2D
3D
TSV
MMP-X2
Ki:
15
IC50:
51
14
5
2D
3D
TSV
MT-MMP 3
Ki:
15
IC50:
51
14
5
2D
3D
TSV
MT3-MMP
Ki:
15
IC50:
51
14
5
2D
3D
TSV
MT3MMP
Ki:
15
IC50:
51
14
5
2D
3D
TSV
MTMMP3
Ki:
15
IC50:
51
14
5
2D
3D
TSV
Multicatalytic endopeptidase complex subunit C13
Ki:
14
IC50:
61
7
13
2D
3D
TSV
NR3B2
Ki:
12
IC50:
20
3
7
2D
3D
TSV
Nuclear receptor subfamily 3 group B member 2
Ki:
12
IC50:
51
EC50:
2
6
7
2D
3D
TSV
Pancreatic α-amylase
Ki:
8
IC50:
36
6
3
2D
3D
TSV
Pancreatic α-amylase
Ki:
8
IC50:
36
6
3
2D
3D
TSV
Proteasome component C13
Ki:
14
IC50:
61
7
13
2D
3D
TSV
Proteasome subunit beta type-8
Ki:
14
IC50:
61
7
13
2D
3D
TSV
Proteasome subunit beta-5i
Ki:
14
IC50:
61
7
13
2D
3D
TSV
Psmb8
IC50:
5
1
7
2D
3D
TSV
Steroid hormone receptor ERR2
Ki:
12
IC50:
51
EC50:
2
6
7
2D
3D
TSV
Thyrotropin-releasing hormone receptor 2
Ki:
24
IC50:
43
EC50:
74
6
2
2D
3D
TSV
TRH-R2
IC50:
34
EC50:
50
2
1
2D
3D
TSV