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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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Name
SMILES
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/
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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 205 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
AD3
IC50:
247
EC50:
43
11
9
2D
3D
TSV
CBX7
Ki:
7
IC50:
189
Kd:
20
6
3
2D
3D
TSV
Chromobox protein homolog 7
Ki:
7
IC50:
189
Kd:
20
6
3
2D
3D
TSV
Chromobox protein homolog 7 (CBX7)
Ki:
7
IC50:
189
Kd:
20
6
3
2D
3D
TSV
CYPIB1
Ki:
37
IC50:
179
EC50:
6
14
5
2D
3D
TSV
Cytochrome P450 1B1
Ki:
37
IC50:
179
EC50:
6
14
5
2D
3D
TSV
Cytochrome P450 1B1 (CYP1B1)
Ki:
37
IC50:
179
EC50:
6
14
5
2D
3D
TSV
Gamma-Secretase Subunit Presenilin-1
IC50:
247
EC50:
43
11
9
2D
3D
TSV
Gastrin-Releasing peptide
Ki:
68
IC50:
21
4
7
2D
3D
TSV
Gastrin-releasing peptide receptor
Ki:
114
IC50:
135
EC50:
8
20
5
2D
3D
TSV
KCNQ (Kv7) potassium channel
Ki:
1
IC50:
49
EC50:
99
11
38
2D
3D
TSV
Mitogen-activated protein kinase kinase kinase 7
Ki:
3
IC50:
130
Kd:
91
19
11
2D
3D
TSV
Presenilin-1
IC50:
247
EC50:
43
11
9
2D
3D
TSV
Presenilin-1 CTF subunit
IC50:
247
EC50:
43
11
9
2D
3D
TSV
Presenilin-1 CTF12
IC50:
247
EC50:
43
11
9
2D
3D
TSV
Presenilin-1 NTF subunit
IC50:
247
EC50:
43
11
9
2D
3D
TSV
Protein S182
IC50:
247
EC50:
43
11
9
2D
3D
TSV
PS-1
IC50:
247
EC50:
43
11
9
2D
3D
TSV
PS1
IC50:
247
EC50:
43
11
9
2D
3D
TSV
PS1-CTF12
IC50:
247
EC50:
43
11
9
2D
3D
TSV
PSEN1
IC50:
247
EC50:
43
11
9
2D
3D
TSV
PSNL1
IC50:
247
EC50:
43
11
9
2D
3D
TSV
Transforming growth factor-beta-activated kinase 1 (TAK1)
Ki:
3
IC50:
130
Kd:
91
19
11
2D
3D
TSV
Voltage-gated potassium channel subunit Kv7.1
Ki:
1
IC50:
59
EC50:
64
9
13
2D
3D
TSV
Voltage-gated potassium channel subunit Kv7.3
IC50:
1
EC50:
1
2
5
2D
3D
TSV