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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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Journal/Citation
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PDB
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 307 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
C-C chemokine receptor type 6
IC50:
322
9
5
2D
3D
TSV
C-C chemokine receptor type 6 (CCR6)
IC50:
322
9
5
2D
3D
TSV
Map3k11
IC50:
7
1
4
2D
3D
TSV
Mitogen-activated protein kinase kinase kinase 11
IC50:
229
Kd:
135
Other:
2
17
9
2D
3D
TSV
Mixed lineage kinase 3
IC50:
7
1
4
2D
3D
TSV
Mixed Lineage Kinase 3 (MLK3)
IC50:
222
Kd:
135
Other:
2
17
6
2D
3D
TSV
Mlk3
IC50:
7
1
4
2D
3D
TSV
Neurokinin NK3
Ki:
42
IC50:
35
Kd:
9
EC50:
4
23
9
2D
3D
TSV
PGE receptor EP4 subtype
EC50:
2
1
1
2D
3D
TSV
PGE2 receptor EP4 subtype
EC50:
2
1
1
2D
3D
TSV
T2R8
IC50:
315
1
4
2D
3D
TSV
Taste receptor family B member 5
IC50:
315
1
4
2D
3D
TSV
Taste receptor type 2 member 8
IC50:
315
1
4
2D
3D
TSV
Taste receptor type 2 member 8 (T2R8)
IC50:
315
1
4
2D
3D
TSV
TRB5
IC50:
315
1
4
2D
3D
TSV