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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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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 102 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
2,3-dihydroxybenzoate-AMP ligase
Ki:
104
IC50:
1
Kd:
1
6
5
2D
3D
TSV
AAA nuclear coregulator cancer-associated protein
Ki:
2
IC50:
111
Kd:
39
8
8
2D
3D
TSV
ANCCA
Ki:
2
IC50:
111
Kd:
39
8
8
2D
3D
TSV
ATAD2
Ki:
2
IC50:
111
Kd:
39
8
8
2D
3D
TSV
ATPase family AAA domain-containing protein 2
Ki:
2
IC50:
111
Kd:
39
8
8
2D
3D
TSV
Calcium/calmodulin-dependent protein kinase kinase 2 (CaMKKB)
Ki:
3
IC50:
14
Kd:
133
17
18
2D
3D
TSV
Calcium/calmodulin-dependent protein kinase kinase 2 (CaMKKB) P274E
IC50:
1
1
0
2D
3D
TSV
Calcium/calmodulin-dependent protein kinase kinase beta
Ki:
3
IC50:
15
Kd:
133
17
18
2D
3D
TSV
CaM-kinase kinase beta
Ki:
3
IC50:
14
Kd:
133
17
18
2D
3D
TSV
Casein kinase I gamma 1 isoform
IC50:
21
Kd:
123
17
5
2D
3D
TSV
Casein kinase I isoform gamma-1
IC50:
21
Kd:
123
17
5
2D
3D
TSV
CKI-gamma 1
IC50:
21
Kd:
123
17
5
2D
3D
TSV
hOAT1
Ki:
23
IC50:
28
12
12
2D
3D
TSV
hPAHT
Ki:
23
IC50:
28
12
12
2D
3D
TSV
hROAT1
Ki:
23
IC50:
28
12
12
2D
3D
TSV
MAP/microtubule affinity-regulating kinase 2
Ki:
2
IC50:
21
Kd:
128
13
8
2D
3D
TSV
MARK2
Ki:
2
IC50:
21
Kd:
128
13
8
2D
3D
TSV
Organic anion transporter 1
Ki:
66
IC50:
31
20
13
2D
3D
TSV
PAH transporter
Ki:
23
IC50:
28
12
12
2D
3D
TSV
PRO2000
Ki:
2
IC50:
111
Kd:
39
8
8
2D
3D
TSV
Renal organic anion transporter 1
Ki:
23
IC50:
28
12
12
2D
3D
TSV
rOAT1
Ki:
43
IC50:
3
10
1
2D
3D
TSV
rROAT1
Ki:
43
IC50:
3
10
1
2D
3D
TSV
Solute carrier family 22 member 6
Ki:
122
IC50:
31
21
15
2D
3D
TSV