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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
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Het List in SDF
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Name
SMILES
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/
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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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Targets Binding with 54 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
3-dehydroquinate dehydratase
Ki:
69
Kd:
7
5
9
2D
3D
TSV
AB164_07585
Ki:
12
IC50:
17
1
0
2D
3D
TSV
AB165_01610
Ki:
12
IC50:
17
1
0
2D
3D
TSV
AB166_11280
Ki:
12
IC50:
17
1
0
2D
3D
TSV
AB167_18060
Ki:
12
IC50:
17
1
0
2D
3D
TSV
AB168_06335
Ki:
12
IC50:
17
1
0
2D
3D
TSV
AB169_08740
Ki:
12
IC50:
17
1
0
2D
3D
TSV
AB170_00090
Ki:
12
IC50:
17
1
0
2D
3D
TSV
AB171_19425
Ki:
12
IC50:
17
1
0
2D
3D
TSV
AB893_00065
Ki:
12
IC50:
17
1
0
2D
3D
TSV
ABW01_29210
Ki:
12
IC50:
17
1
0
2D
3D
TSV
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain
Ki:
3
IC50:
38
EC50:
21
6
4
2D
3D
TSV
Acetylcholine receptor; alpha1/beta1/delta/gamma
Ki:
3
IC50:
38
EC50:
21
6
4
2D
3D
TSV
ADT20_14595
Ki:
12
IC50:
17
1
0
2D
3D
TSV
ADT21_00085
Ki:
12
IC50:
17
1
0
2D
3D
TSV
BF27_2004
Ki:
12
IC50:
17
1
0
2D
3D
TSV
FLAG-Glucokinase (GK)
EC50:
54
1
0
2D
3D
TSV
Folylpoly-gamma-glutamate synthetase
Ki:
52
IC50:
15
14
12
2D
3D
TSV
Folylpolyglutamate synthase, mitochondrial
Ki:
52
IC50:
15
14
12
2D
3D
TSV
FPGS
Ki:
52
IC50:
15
14
12
2D
3D
TSV
G-protein coupled receptor 66
EC50:
34
4
5
2D
3D
TSV
G-protein coupled receptor FM-3
EC50:
34
4
5
2D
3D
TSV
GPR66
EC50:
34
4
5
2D
3D
TSV
guaB
Ki:
12
IC50:
17
1
0
2D
3D
TSV
Inosine-5''-monophosphate dehydrogenase
Ki:
12
IC50:
17
1
0
2D
3D
TSV
Inosine-5'-monophosphate dehydrogenase
Ki:
44
IC50:
17
2
5
2D
3D
TSV
Leukotriene B4
Ki:
69
IC50:
5
11
1
2D
3D
TSV
Melatonin
Ki:
104
10
7
2D
3D
TSV
Methyl-CpG binding domain protein 2
IC50:
54
2
4
2D
3D
TSV
Methyl-CpG-binding domain protein 2 (MBD2)
IC50:
54
2
4
2D
3D
TSV
MurA (H. influenzae)
IC50:
2
1
1
2D
3D
TSV
Na/K-ATPase
Ki:
3
IC50:
51
4
1
2D
3D
TSV
Neuromedin-U receptor 1
EC50:
65
4
8
2D
3D
TSV
NMU-R1
EC50:
34
4
5
2D
3D
TSV
NMUR1
EC50:
34
4
5
2D
3D
TSV
Potassium-transporting ATPase alpha chain 1
Ki:
3
IC50:
51
4
4
2D
3D
TSV
PROT
IC50:
54
1
4
2D
3D
TSV
SLC6A7
IC50:
54
1
4
2D
3D
TSV
Sodium- and chloride-dependent taurine transporter
IC50:
55
3
5
2D
3D
TSV
Sodium-dependent proline transporter
IC50:
54
1
4
2D
3D
TSV
Solute carrier family 6 member 7
IC50:
54
1
4
2D
3D
TSV
Tetrahydrofolate synthase
Ki:
52
IC50:
15
14
12
2D
3D
TSV
Tetrahydrofoly-polyglutamate synthase
Ki:
52
IC50:
15
14
12
2D
3D
TSV
tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide
IC50:
56
2
7
2D
3D
TSV
UDP-N-acetylglucosamine 1-carboxyviny-transferase
Ki:
3
IC50:
72
5
10
2D
3D
TSV
Voltage-dependent calcium channel alpha2delta subunit
IC50:
57
4
1
2D
3D
TSV