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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
PubMed code
20550146
Compile data set for download or QSAR
Found
32
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
BDBM36284
BDBM50094702
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-33.2
n/a
n/a
5.83
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM50159250
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-33.0
n/a
n/a
5.79
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36285
CHEBI
PC cid
PC sid
PC cid
PC sid
-32.9
n/a
n/a
5.77
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36292
CHEBI
PC cid
PC sid
PC cid
PC sid
-32.5
n/a
n/a
5.70
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM23450
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-32.0
n/a
n/a
5.60
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36290
CHEBI
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-31.4
n/a
n/a
5.51
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36286
CHEBI
PC cid
PC sid
PC cid
PC sid
-29.7
n/a
n/a
5.20
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36296
CHEBI
PC cid
PC sid
PC cid
PC sid
-29.7
n/a
n/a
5.20
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36287
CHEBI
PC cid
PC sid
PC cid
PC sid
-29.1
n/a
n/a
5.11
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36301
CHEBI
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-27.9
n/a
n/a
4.90
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36288
CHEBI
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-27.9
n/a
n/a
4.88
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM50167952
CHEBI
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-27.3
n/a
n/a
4.78
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36289
CHEBI
PC cid
PC sid
PC cid
PC sid
-27.0
n/a
n/a
4.73
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM26187
CHEBI
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-24.8
n/a
n/a
4.34
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36291
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-24.6
n/a
n/a
4.32
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM50106187
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-23.6
n/a
n/a
4.11
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36299
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-23.5
n/a
n/a
4.11
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36300
CHEBI
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-23.5
n/a
n/a
4.11
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM50240369
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-23.1
n/a
n/a
4.04
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM26188
CHEBI
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-22.9
n/a
n/a
4
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM50150779
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-22.6
n/a
n/a
3.96
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM50225188
CHEBI
PC cid
PC sid
MMDB
PC cid
PC sid
-21.9
n/a
n/a
3.83
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36293
CHEBI
PC cid
PC sid
MMDB
PC cid
PC sid
-21.7
n/a
n/a
3.81
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36297
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-21.7
n/a
n/a
3.81
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36294
CHEBI
PC cid
PC sid
PC cid
PC sid
PDB
-21.2
n/a
n/a
3.72
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM26189
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-21.2
n/a
n/a
3.72
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36295
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-21.1
n/a
n/a
3.70
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36302
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
-20.8
n/a
n/a
3.63
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM26190
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-20.7
n/a
n/a
3.62
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM26196
CHEBI
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-20
n/a
n/a
3.51
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM36298
CHEBI
PC cid
PC sid
MMDB
PC cid
PC sid
PDB
-18.8
n/a
n/a
3.28
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
BDBM36284
BDBM50249069
CHEBI
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-14.7
n/a
n/a
2.57
7
25
University of Cambridge
J Phys Chem B
114:
8606
-
15
(2010)
Reorder this table by
ΔH°
Reorder this table by
-TΔS°
Change energy units to:
kcal/mole
*
indicates data uncertainty>20%