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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
Special tools
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SCOP
Citation
Author
Journal/Citation
Institution
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PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
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All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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Targets Binding with 659 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
ABCP
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
ATP-binding cassette sub-family G member 2
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
ATP-binding cassette transporter (ABCG2)
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
ATP-Binding Cassette Transporter ABCG2
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
ATP-binding cassette, sub-family G, member 2
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
BCRP
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
BCRP1
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
Breast cancer resistance protein
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
CDw338
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
Extracellular signal-regulated kinase 1 (ERK1)
Ki:
5
IC50:
503
Kd:
223
ITC:
1
62
9
2D
3D
TSV
Mitoxantrone resistance-associated protein
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
MXR
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
Phosphodiesterase 7 (PDE7)
Ki:
28
IC50:
653
44
7
2D
3D
TSV
Phosphodiesterase 7A
Ki:
28
IC50:
653
44
7
2D
3D
TSV
Phosphodiesterase 7A (PDE7A1)
Ki:
28
IC50:
653
44
7
2D
3D
TSV
Placenta-specific ATP-binding cassette transporter
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV
Urate exporter
Ki:
4
IC50:
746
EC50:
130
Other:
2
53
15
2D
3D
TSV