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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
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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
Download
All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
Contribute data
Sent Comments
PubMed code
16238298
Compile data set for download or QSAR
Found
12
hits of Isothermal Titration Calorimetry Data.
Cell (A)
Syringe (B)
Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log K
pH
Temp
°C
BDBM11
BDBM36165
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
2.42
-23
3.61
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM36166
BDBM36165
PC cid
PC sid
PC cid
PC sid
n/a
4.29
-23.2
3.31
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM36167
BDBM36165
PC cid
PC sid
PC cid
PC sid
n/a
14.5
-37.9
3.82
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM11
BDBM36168
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
n/a
4.80
-25.8
3.68
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM36166
BDBM36168
PC cid
PC sid
CHEBI
PC cid
PC sid
n/a
12.9
-32.1
3.36
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM36167
BDBM36170
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
n/a
6.20
-24.3
3.17
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM11
BDBM36169
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
n/a
3.70
-23
3.37
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM36166
BDBM36169
PC cid
PC sid
CHEBI
PC cid
PC sid
n/a
5.96
-23.4
3.05
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM36167
BDBM36169
PC cid
PC sid
CHEBI
PC cid
PC sid
n/a
6.41
-24.9
3.25
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM11
BDBM36170
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
n/a
4.59
-23.8
3.36
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM36166
BDBM36170
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
n/a
5.81
-23.1
3.03
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
BDBM36167
BDBM36168
PC cid
PC sid
CHEBI
PC cid
PC sid
n/a
24.1
-46
3.83
7.20
25
Nankai University
J Org Chem
70:
8703
-
11
(2005)
Reorder this table by
ΔH°
Reorder this table by
-TΔS°
Change energy units to:
kcal/mole
*
indicates data uncertainty>20%
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