Home
Info
Download
About us
Email us
Contribute data
Web Services
Beta Site
myBDB
logout
Search and Browse
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
WIPO Patent
Special Data Sets
Coronavirus Data
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
11817957
Compile data set for download or QSAR
Found
58
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
BDBM36127
BDBM36083
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-19.2
-8.91
-10.3
3.36
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36084
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-18.1
-10.7
-7.40
3.17
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36068
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-16.7
7.90
-24.6
2.92
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36067
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-16.5
7.30
-23.8
2.89
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36049
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-16.2
-5.19
-11
2.84
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36050
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-15.8
-5.10
-10.7
2.77
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36091
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-15.7
3.40
-19.1
2.75
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM5
CHEBI
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-15.4
-9.60
-5.79
2.70
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36099
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-15.1
-6.50
-8.60
2.64
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36129
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-15.1
-2.50
-12.6
2.64
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36098
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-15.0
-6.59
-8.40
2.63
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36051
CHEBI
PC cid
PC sid
PC cid
PC sid
-14.8
-1.10
-13.7
2.60
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36092
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-14.7
1.49
-16.2
2.57
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36052
CHEBI
PC cid
PC sid
PC cid
PC sid
-14.5
-1.61
-12.9
2.55
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36135
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-14.1
-3.91
-10.2
2.46
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36026
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-13.9
-6.26
-7.70
2.44
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36102
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-13.7
-1.01
-12.7
2.40
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36080
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-13.6
-8.29
-5.28
2.38
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36079
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-13.6
-6.89
-6.67
2.37
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36096
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-13.4
-5.19
-8.20
2.35
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36062
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-13.2
3.19
-16.4
2.31
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36116
CHEBI
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-13.2
-3.49
-9.70
2.30
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36097
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-13.1
-4.80
-8.36
2.30
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36074
CHEBI
PC cid
PC sid
PC cid
PC sid
-13.1
-6.20
-6.87
2.29
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36103
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-13.0
-2.50
-10.5
2.28
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36073
CHEBI
PC cid
PC sid
PC cid
PC sid
-13.0
-6.11
-6.86
2.27
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36069
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-12.9
-2.42
-10.5
2.26
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36134
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-12.9
-1.79
-11.1
2.26
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36061
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-12.8
3.70
-16.5
2.24
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36070
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-12.8
-2.21
-10.6
2.24
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36130
CHEBI
PC cid
PC sid
PC cid
PC sid
-12.3
8.59
-20.9
2.16
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36128
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-12.2
1.79
-14.0
2.14
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36038
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-12.1
2.98
-15.1
2.13
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36057
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-11.8
-3.31
-8.5
2.06
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36037
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-11.7
0.686
-12.4
2.06
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36058
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-11.7
-2.30
-9.41
2.05
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM11
BDBM36130
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-11.5
11.6
-23.1
2.01
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM11
BDBM36135
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-11.3
-2.50
-8.79
1.98
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36115
CHEBI
PC cid
PC sid
PC cid
PC sid
-11.2
-3.61
-7.58
1.96
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36034
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-10.8
-3.67
-7.14
1.89
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36075
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-10.3
-5.19
-5.09
1.80
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36033
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-10.1
-3.49
-6.62
1.76
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM50129068
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-9.93
-3.19
-6.75
1.74
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36133
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-9.89
-2.06
-7.83
1.73
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM50129063
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-9.40
-4.50
-4.90
1.64
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36076
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-9.38
-5.69
-3.66
1.64
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36088
CHEBI
PC cid
PC sid
PC cid
PC sid
-9.30
-2.42
-6.90
1.62
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36087
CHEBI
PC cid
PC sid
PC cid
PC sid
-9.30
-2.80
-6.90
1.62
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36082
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-9.26
-0.894
-8.40
1.62
6.10
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36081
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-9.08
-1.70
-7.40
1.59
6.10
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36089
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-8.70
-4.89
-3.80
1.52
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36131
CHEBI
PC cid
PC sid
PC cid
PC sid
PDB
-8.20
9.60
-17.8
1.44
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36036
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-8.10
9.69
-17.8
1.42
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36035
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-6.80
14.0
-20.8
1.19
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM11
BDBM36131
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
PDB
-6.75
12.5
-19.2
1.18
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36090
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-6.20
-2.71
-3.5
1.08
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM26983
CHEBI
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-5.70
11.0
-16.5
1
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM11
BDBM26983
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
MMDB
PC cid
PC sid
PDB
-4
14.0
-18
0.699
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
Reorder this table by
ΔH°
Reorder this table by
-TΔS°
Change energy units to:
kcal/mole
*
indicates data uncertainty>20%