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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
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Important Compounds
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Name
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/
Targets
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PDB
85%
100%
Seq ID
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Download
All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
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Compile Data Set for Download or QSAR
Found
24
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
BDBM36124
BDBM50043802
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-13.2
6.29
-19.5
2.32
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36124
BDBM50043820
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-13.2
6.50
-19.7
2.31
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36125
BDBM50043802
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-12.7
6.41
-19.1
2.23
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36124
BDBM36121
PC cid
PC sid
PC cid
PC sid
-12.5
0.596
-13.1
2.20
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36123
BDBM50043820
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-12.3
6.89
-19.2
2.16
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36123
BDBM36121
PC cid
PC sid
PC cid
PC sid
-12.2
1.40
-13.6
2.14
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36125
BDBM50043820
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-12.2
4.89
-17.1
2.13
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM11
BDBM50043802
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-12.1
5.07
-17.1
2.11
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36123
BDBM50043802
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-12.1
6.86
-19.1
2.11
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM11
BDBM50043820
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
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36124
BDBM36122
PC cid
PC sid
PC cid
PC sid
-11.9
1.61
-13.5
2.09
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36125
BDBM36121
PC cid
PC sid
PC cid
PC sid
-11.9
0.388
-12.3
2.08
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM11
BDBM36121
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-11.8
2.98
-14.8
2.06
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36123
BDBM36122
PC cid
PC sid
PC cid
PC sid
-11.7
2.89
-14.5
2.04
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36125
BDBM36122
PC cid
PC sid
PC cid
PC sid
-11.6
1.91
-13.5
2.04
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM11
BDBM36122
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-11.3
2.00
-13.3
1.99
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36126
BDBM36121
CHEBI
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-11.3
14.3
-25.6
1.99
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM36126
BDBM36122
CHEBI
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-9.14
13.2
-22.3
1.60
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM4
BDBM36122
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-7.10
11.3
-18.4
1.24
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM4
BDBM36121
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-7
12.0
-19
1.23
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM4
BDBM36119
MMDB
PC cid
PC sid
PDB
KEGG
MMDB
PC cid
PC sid
-6.70
12.0
-19
1.18
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM4
BDBM36120
MMDB
PC cid
PC sid
PDB
MMDB
PC cid
PC sid
-6.40
15.0
-21
1.15
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM4
BDBM50043820
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-5.40
11.0
-16
0.954
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
BDBM4
BDBM50043802
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-4.80
19.0
-24
0.845
6.90
25
Nagoya Institute of Technology
J Am Chem Soc
126:
14224
-
33
(2004)
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