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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
3D Structure Series
Find My Compound's Targets
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SCOP
Citation
Author
Journal/Citation
Institution
PubMed
PubChem BioAssay
US Patent
Special Data Sets
D3R
Host Guest Systems
Prot-Lig Validation Sets
Other Databases
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°
Enter Data
Deposition
Contribute data
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Targets Binding with 690 Compounds
Target Name
Commercially
Available
Compounds
Protein/Small Molecule
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AffyNet
Ki
IC50
Kd
EC50
k
off
k
on
other
ITC
SDF
TSV
1
12 kDa FKBP
95
400
182
107
61
0
0
0
0
0
44
11
2D
3D
TSV
2
CK2- alpha
3
130
674
128
0
0
0
0
0
0
48
9
2D
3D
TSV
3
FK506-binding protein 1A
95
400
182
107
61
0
0
0
0
0
44
11
2D
3D
TSV
4
FK506-binding protein 1A (FKBP12)
95
350
182
107
61
0
0
0
0
0
43
9
2D
3D
TSV
5
FKBP-12
95
400
182
107
61
0
0
0
0
0
44
11
2D
3D
TSV
6
FKBP-1A
95
350
182
107
61
0
0
0
0
0
43
9
2D
3D
TSV
7
FKBP12
95
350
182
107
61
0
0
0
0
0
43
9
2D
3D
TSV
8
Gastric receptor I
68
338
122
189
214
0
0
0
0
0
146
7
2D
3D
TSV
9
H2R
68
338
122
189
214
0
0
0
0
0
146
7
2D
3D
TSV
10
HISTAMINE H2
69
342
122
189
214
0
0
0
0
0
150
10
2D
3D
TSV
11
Histamine H2 Receptor
41
244
85
0
83
0
0
0
0
0
103
5
2D
3D
TSV
12
Nuclear receptor subfamily 2 group B member 1
22
173
231
128
403
0
0
0
0
0
65
5
2D
3D
TSV
13
Peptidyl-prolyl cis-trans isomerase (FKBP)
95
350
182
107
61
0
0
0
0
0
43
9
2D
3D
TSV
14
Peptidyl-prolyl cis-trans isomerase FKBP1A
95
350
182
107
61
0
0
0
0
0
43
9
2D
3D
TSV
15
PPIase FKBP1A
95
350
182
107
61
0
0
0
0
0
43
9
2D
3D
TSV
16
Prolyl endopeptidase
9
105
788
0
0
3
3
0
0
0
51
9
2D
3D
TSV
17
Retinoic acid receptor RXR-alpha
23
191
248
128
417
0
0
0
0
0
68
6
2D
3D
TSV
18
Retinoid X receptor alpha (F313A)
22
173
231
128
403
0
0
0
0
0
65
5
2D
3D
TSV
19
Retinoid X receptor alpha (F313I)
22
173
231
128
403
0
0
0
0
0
65
5
2D
3D
TSV
20
Retinoid X receptor alpha (F313S)
22
173
231
128
403
0
0
0
0
0
65
5
2D
3D
TSV
21
Retinoid X receptor alpha (L436F)
22
173
231
128
403
0
0
0
0
0
65
5
2D
3D
TSV
22
Retinoid X receptor alpha (L436V)
22
173
231
128
403
0
0
0
0
0
65
5
2D
3D
TSV
23
Retinoid X receptor beta
15
141
18
65
159
0
0
0
0
0
25
9
2D
3D
TSV
24
RXR alpha/PPAR gamma
22
173
231
128
403
0
0
0
0
0
65
5
2D
3D
TSV
Sub total
1305
6340
5434
2747
4671
0
0
0
0
0
Total
19192