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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
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/
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Citation
Author
Journal/Citation
Institution
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Host Guest Systems
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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
48
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
BDBM36194
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-20.8
-4.41
-16.4
3.64
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM23432
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-19.3
1.13
-20.5
3.39
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36142
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-19.3
3.58
-22.9
3.38
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36178
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-19.1
-6.71
-12.4
3.34
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36193
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-19
-9.93
-9.06
3.33
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36145
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-18.1
-8.56
-9.5
3.16
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36189
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-17.5
-7.90
-9.58
3.06
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36202
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-17.4
2.39
-19.8
3.05
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36141
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-17.3
2.18
-19.5
3.03
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36190
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-17.1
-7.16
-9.92
2.99
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM50240408
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-16.7
0.835
-17.5
2.93
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36192
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-16.7
-7.93
-8.74
2.92
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36191
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-16.4
-7.72
-8.66
2.87
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36187
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-15.1
2.83
-17.9
2.64
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36184
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
PC cid
PC sid
-15.1
-3.28
-11.8
2.64
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36197
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-15.1
3.70
-18.7
2.64
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36142
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-15
-13.0
-1.99
2.62
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36140
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-14.8
2.77
-17.5
2.59
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36203
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.7
-5.31
-9.41
2.58
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36201
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.7
2.86
-17.6
2.58
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM50240408
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-14.2
-16.0
1.75
2.48
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36174
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-14.1
0.0894
-14.2
2.48
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36195
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-14.0
3.25
-17.2
2.45
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36194
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-13.5
-9.54
-3.90
2.37
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36176
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-12.8
-8.20
-4.56
2.24
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36196
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-12.6
1.46
-14.1
2.21
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36139
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-11.4
2.36
-13.7
1.99
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36182
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-10.9
0.656
-11.5
1.90
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36187
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-10.7
-12.7
1.96
1.88
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36186
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.5
-2.30
-8.22
1.84
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36178
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-10.5
2.00
-12.5
1.83
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36140
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.4
-12.9
2.5
1.81
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36174
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-9.54
-15.0
5.5
1.67
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36134
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
KEGG
PC cid
PC sid
-9.17
2.92
-12.1
1.61
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36185
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-9.02
3.22
-12.3
1.58
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36176
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-8.91
2.56
-11.5
1.56
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36188
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-8.46
3.04
-11.5
1.48
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM50240453
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-7.83
4.68
-12.5
1.37
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36200
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-7.38
3.82
-11.2
1.29
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36183
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-7.10
0.388
-7.5
1.24
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36199
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-7.05
3.70
-10.7
1.24
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36181
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-6.86
3.64
-10.5
1.20
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM36198
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-6.59
2.50
-9.10
1.16
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36188
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-6.5
-10.2
3.70
1.15
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM4
BDBM50079401
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-6.30
4.29
-10.6
1.10
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36133
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-6.10
5.40
-11.5
1.08
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36182
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-5.30
-13.2
7.90
0.919
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
BDBM11
BDBM36139
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
n/a
n/a
5
0.903
6.90
25
NIST
J Phys Chem B
101:
87
-
100
(1997)
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