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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
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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
44
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
BDBM4
BDBM50111977
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
1.25
-13.4
2.15
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36207
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
0.984
-21
3.51
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36205
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
5.99
-14.2
1.48
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36206
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
5.25
-13
1.34
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36207
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
0.626
-10
1.38
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36208
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
5.99
-22.2
2.85
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36209
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
4.74
-19.3
2.54
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36210
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-0.507
-13
2.30
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM50111977
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-0.388
-13
2.34
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36211
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
1.61
-13.6
2.08
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36204
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
14.6
-27.2
2.21
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36205
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
2.39
-11.7
1.65
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36206
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
5.07
-13
1.40
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36207
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
n/a
-8.40
1.48
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM50111977
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
1.37
-13.4
2.11
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM50111977
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
22.0
-36.8
2.62
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36211
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
n/a
-13
2.29
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36211
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-35.5
-49.8
2.54
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36204
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-4.23
-11.7
2.80
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36204
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
9.60
-24.3
3.30
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36206
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
4.50
-13
1.49
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36206
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
16.8
-29
2.20
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36207
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-2.74
-10
2.26
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36207
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
8.62
-21
2.18
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM50111977
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-3.88
-20.3
4.26
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36211
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-5.37
-15.7
3.70
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36204
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-13.4
-8.16
3.79
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36205
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-5.99
-15.9
3.85
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36206
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-8.62
-7.95
2.92
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36207
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-8.11
-7.54
2.75
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36208
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
8.65
-32.7
4.20
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36209
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
7.87
-31.4
4.15
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36210
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-2.24
-22.2
4.30
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM50111977
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-3.61
-22.6
4.60
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36211
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-6.11
-15.1
3.73
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36204
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-9.87
-10.5
3.57
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36205
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-8.62
-13
3.80
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36206
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-9.36
-7.95
3.04
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36207
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-10.6
-7.54
2.63
7.20
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM50111977
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
0.388
-31.5
5.48
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36211
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-3.25
-24.3
4.85
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36205
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
-0.745
-26
4.70
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM11
BDBM36206
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
1.13
-23
3.85
4.05
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
BDBM4
BDBM36204
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a
2.86
-14.2
2
8.5
25
University of Mississippi
J Am Chem Soc
111:
6765
-
72
(1989)
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