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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
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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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Targets Binding with 63 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
Calcium-activated neutral proteinase
Ki:
3
1
1
2D
3D
TSV
Calpain 1/2
Ki:
3
1
1
2D
3D
TSV
Calpain-1 large subunit
Ki:
59
IC50:
7
8
5
2D
3D
TSV
CANP
Ki:
3
1
1
2D
3D
TSV
CD_antigen=CD220
IC50:
19
EC50:
42
5
3
2D
3D
TSV
GABA A receptor alpha-6/beta-2/gamma-2
Ki:
77
IC50:
6
EC50:
2
12
9
2D
3D
TSV
Insulin receptor subunit alpha
IC50:
19
EC50:
42
5
3
2D
3D
TSV
Insulin receptor subunit beta
IC50:
19
EC50:
42
5
3
2D
3D
TSV
IR
IC50:
21
EC50:
42
7
5
2D
3D
TSV
MIP-1 alpha receptor
Ki:
57
IC50:
6
Kd:
2
7
10
2D
3D
TSV
Mitochondrial complex I; NADH oxidoreductase
IC50:
66
8
2
2D
3D
TSV
Mu/M-type
Ki:
3
1
1
2D
3D
TSV
MurD
Ki:
4
IC50:
57
Kd:
9
Other:
9
5
1
2D
3D
TSV
MurD (E. coli)
Ki:
4
IC50:
57
Kd:
9
Other:
9
5
1
2D
3D
TSV
Neuronal tryptophan hydroxylase
IC50:
1
1
1
2D
3D
TSV
Ntph
IC50:
1
1
1
2D
3D
TSV
Phospholipase A2 group V
IC50:
93
8
5
2D
3D
TSV
Secretory phospholipase A2, group V (sPLA2-V)
IC50:
64
8
3
2D
3D
TSV
Tph2
IC50:
1
1
1
2D
3D
TSV
Tryptophan 5-hydroxylase 2
IC50:
61
EC50:
4
4
5
2D
3D
TSV
Tryptophan 5-monooxygenase 2
IC50:
1
1
1
2D
3D
TSV
UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase
Ki:
4
IC50:
57
Kd:
9
Other:
9
5
1
2D
3D
TSV
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase
Ki:
4
IC50:
57
Kd:
9
Other:
9
5
1
2D
3D
TSV
Urotensin-2
Ki:
4
EC50:
60
4
8
2D
3D
TSV