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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
Find Compounds for My Targets
Do Virtual Screening
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
Articleid
1676
Compile data set for download or QSAR
Found
24
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
BDBM36120
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
MMDB
PC cid
PC sid
n/a
-0.537
-10.5
1.93
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36123
BDBM36138
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
n/a
0.0894
-12.9
2.25
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36127
BDBM36120
PC cid
PC sid
MMDB
PC cid
PC sid
n/a
-2.09
-10.5
2.21
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36127
BDBM36119
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
n/a
-1.37
-11.3
2.23
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36136
BDBM36120
PC cid
PC sid
MMDB
PC cid
PC sid
n/a
-1.01
-10.9
2.08
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36136
BDBM36119
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
n/a
-1.61
-10.1
2.06
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36125
BDBM36120
PC cid
PC sid
MMDB
PC cid
PC sid
n/a
-3.79
-7.80
2.03
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36125
BDBM36119
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
n/a
-3.70
-7.52
1.97
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36124
BDBM36120
PC cid
PC sid
MMDB
PC cid
PC sid
n/a
-3.19
-8.90
2.12
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36124
BDBM36119
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
n/a
-4.89
-6.85
2.05
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36123
BDBM36120
PC cid
PC sid
MMDB
PC cid
PC sid
n/a
-0.209
-12.8
2.28
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36123
BDBM36119
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
n/a
-2.15
-10
2.13
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM11
BDBM36137
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
KEGG
MMDB
PC cid
PC sid
PDB
n/a
-1.10
-9.59
1.87
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM11
BDBM36138
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
KEGG
MMDB
PC cid
PC sid
n/a
-1.10
-9.5
1.85
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36127
BDBM36137
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
PDB
n/a
-0.537
-12.0
2.21
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36127
BDBM36138
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
n/a
-0.447
-12.2
2.21
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36136
BDBM36137
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
PDB
n/a
-0.686
-11
2.05
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36136
BDBM36138
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
n/a
-1.10
-10.6
2.05
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36125
BDBM36137
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
PDB
n/a
-3.88
-7.83
2.07
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36125
BDBM36138
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
n/a
-3.61
-8.23
2.06
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36124
BDBM36137
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
PDB
n/a
-2.80
-9.45
2.15
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36124
BDBM36138
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
n/a
-3.19
-8.92
2.13
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM36123
BDBM36137
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
PDB
n/a
n/a
-12.9
2.26
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
BDBM11
BDBM36119
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
KEGG
MMDB
PC cid
PC sid
n/a
0.209
-11.2
1.92
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
123:
5360
-
5361
(2000)
Reorder this table by
ΔH°
Reorder this table by
-TΔS°
Change energy units to:
kcal/mole
*
indicates data uncertainty>20%
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