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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
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3D Structure Series
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Citation
Author
Journal/Citation
Institution
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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
22
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
BDBM197310
BDBM50241461
KEGG
PC cid
PC sid
PC cid
PC sid
-43.3
n/a
n/a
7.59
7.40
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197287
BDBM197312
PC cid
PC sid
PC cid
PC sid
-39.2
n/a
n/a
6.87
11.5
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197310
BDBM197319
KEGG
PC cid
PC sid
PC cid
PC sid
-36.2
n/a
n/a
6.34
7.40
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197310
BDBM197318
KEGG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-35.7
n/a
n/a
6.26
7.40
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197310
BDBM197322
KEGG
PC cid
PC sid
PC cid
PC sid
-30.9
n/a
n/a
5.41
7.40
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197310
BDBM197317
KEGG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-30.3
n/a
n/a
5.30
7.40
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197310
BDBM197321
KEGG
PC cid
PC sid
CHEBI
PC cid
PC sid
-25.8
n/a
n/a
4.52
7.40
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197309
BDBM50055166
PC cid
PC sid
PC cid
PC sid
-24.9
n/a
n/a
4.36
11.3
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197310
BDBM197288
KEGG
PC cid
PC sid
PC cid
PC sid
-24.4
n/a
n/a
4.28
7.40
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197287
BDBM197314
PC cid
PC sid
PC cid
PC sid
-22.3
n/a
n/a
3.91
11.5
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197309
BDBM197311
PC cid
PC sid
PC cid
PC sid
-21.9
n/a
n/a
3.84
11.3
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197310
BDBM197320
KEGG
PC cid
PC sid
PC cid
PC sid
-21.6
n/a
n/a
3.79
7.40
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197287
BDBM50055166
PC cid
PC sid
PC cid
PC sid
-21.2
n/a
n/a
3.71
11.3
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197309
BDBM50340078
PC cid
PC sid
PC cid
PC sid
-21.1
n/a
n/a
3.70
11.3
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197287
BDBM197311
PC cid
PC sid
PC cid
PC sid
-21.1
n/a
n/a
3.70
11.3
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197309
BDBM197314
PC cid
PC sid
PC cid
PC sid
-18.9
n/a
n/a
3.31
11.5
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197287
BDBM197313
PC cid
PC sid
PC cid
PC sid
-18.8
n/a
n/a
3.30
11.3
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197287
BDBM50340078
PC cid
PC sid
PC cid
PC sid
-17.8
n/a
n/a
3.12
11.3
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197310
BDBM197316
KEGG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-16.8
n/a
n/a
2.94
7.40
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197309
BDBM197313
PC cid
PC sid
PC cid
PC sid
-16.3
n/a
n/a
2.86
11.3
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197310
BDBM197315
KEGG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-10.5
n/a
n/a
1.85
7.40
24.9
University of California San Diego
J Comput Aided Mol Des
(2016)
BDBM197309
BDBM197312
PC cid
PC sid
PC cid
PC sid
-9.96
n/a
n/a
1.75
11.3
4.85
University of California San Diego
J Comput Aided Mol Des
(2016)
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