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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
Compile Data Set for Download or QSAR
Found
95
hits with all data for this entryid
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
BDBM36077
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-21.8
6.89
-28.7
3.83
4.80
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36106
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-21.7
-1.31
-20.4
3.81
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36107
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-21.7
-1.40
-20.3
3.80
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36077
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-21.4
7.19
-28.6
3.75
4.80
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36055
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
KEGG
PC cid
PC sid
-20.4
9.69
-30.1
3.58
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36056
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
KEGG
PC cid
PC sid
-20.3
9.30
-29.6
3.56
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36065
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-19.5
7.60
-27.1
3.42
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36065
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-19.4
7.69
-27
3.39
4.80
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36066
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-19.3
7.90
-27.2
3.39
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36085
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-19.3
0.209
-19.5
3.37
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36066
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-19.2
7.90
-27.1
3.37
4.80
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36086
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-19.2
0.805
-20
3.36
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36114
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-17.7
-12.8
-4.93
3.10
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM5
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-16.2
-9.90
-6.30
2.85
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36051
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-16.1
-2.30
-13.8
2.82
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36083
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
KEGG
PC cid
PC sid
-16.1
-10.4
-5.61
2.81
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36084
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
KEGG
PC cid
PC sid
-15.9
-10.5
-5.36
2.78
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36052
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-15.8
-2.98
-12.8
2.76
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36067
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-15.7
5.07
-20.7
2.75
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36068
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-15.3
4.20
-19.5
2.69
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36099
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-15.0
-6.35
-8.68
2.63
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36117
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-14.9
-6.29
-8.60
2.62
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36116
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
MMDB
PC cid
PC sid
PDB
-14.9
-4.50
-10.4
2.61
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36098
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-14.9
-6.23
-8.62
2.60
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36049
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.8
-5.10
-9.70
2.59
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36050
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.6
-4.80
-9.80
2.56
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36073
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.4
-6.50
-7.85
2.52
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36074
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.4
-6.50
-7.87
2.52
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36053
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.2
-3.19
-11
2.49
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36054
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.0
-3.40
-10.6
2.45
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36060
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-13.9
-1.49
-12.4
2.43
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36059
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-13.8
-1.79
-12.1
2.42
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36110
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-13.7
-5.07
-8.70
2.34
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36041
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-13.5
-4.29
-9.20
2.37
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36042
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-13.5
-4.20
-9.30
2.36
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36062
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-13.2
4.50
-17.7
2.32
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36115
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-13.0
-4.35
-8.64
2.27
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36061
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-12.8
5.07
-17.8
2.25
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36091
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-12.8
4.71
-17.5
2.24
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36026
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-12.6
-5.69
-6.90
2.21
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36112
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-12.5
-1.91
-10.6
2.20
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36069
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-12.4
-3.49
-8.90
2.17
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36070
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-12.4
-2.42
-10
2.17
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36057
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-12.3
-2.98
-9.30
2.15
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36092
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-12.3
4.11
-16.4
2.15
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36058
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-12.3
-2.21
-10.1
2.15
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36038
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-12.1
5.07
-17.1
2.11
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36037
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-12.0
4.71
-16.7
2.10
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36043
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-11.8
-4.26
-7.56
2.07
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
BDBM11
BDBM36109
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-11.8
8.50
-20.3
2.07
4.80
25
Japan Science and Technology Agency
J Am Chem Soc
122:
4418
-
35
(2000)
Displayed 1 to 50 (of 95 total ) |
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Reorder this table by
ΔH°
Reorder this table by
ΔS°
Reorder this table by
pH
Reorder this table by
T
Change energy unit to:
kcal/mol