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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
Compile Data Set for Download or QSAR
Found
83
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
BDBM36011
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-18.8
-5.10
-13.8
3.30
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36016
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-16.7
1.79
-18.5
2.92
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM7887
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-14.9
1.01
-15.9
2.61
10
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36010
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-12.8
7.60
-20.4
2.24
10
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36026
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-12.3
-4.71
-7.60
2.15
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36009
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-12.0
-2.80
-9.20
2.11
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36027
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-11.6
-2.41
-9.20
2.04
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36029
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-11.3
1.19
-12.5
1.99
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36027
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-11.3
-1.79
-9.44
1.98
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36019
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-11.2
-3.19
-8.08
1.97
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36030
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-11.1
-4.29
-6.84
1.95
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36014
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.8
-1.10
-9.70
1.90
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36029
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.8
1.40
-12.2
1.89
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36019
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-10.8
-2.59
-8.21
1.89
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36018
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-10.7
1.01
-11.7
1.88
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36020
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-10.7
3.19
-13.4
1.78
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36030
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-10.7
-3.49
-7.23
1.87
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36015
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-10.6
-1.91
-8.71
1.85
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM50067723
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.6
3.19
-13.8
1.85
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36028
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-10.5
-0.507
-9.99
1.84
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36018
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-10.4
2.89
-13.3
1.82
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM50067723
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.3
3.49
-13.8
1.80
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36030
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-10.2
6.29
-16.5
1.78
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM7887
MMDB
PC cid
PC sid
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-10.2
18.8
-28.9
1.78
10
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36014
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.1
-0.805
-9.31
1.77
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36015
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-9.95
-1.19
-8.79
1.74
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36022
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-9.83
3.81
-13.7
1.72
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36020
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-9.78
5.51
-15.3
1.71
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36024
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-9.52
9.89
-19.4
1.67
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36030
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-9.44
4.50
-13.9
1.65
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36011
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-9.43
10.4
-19.9
1.65
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36022
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-9.40
6.50
-15.9
1.65
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36019
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-9.39
10.4
-19.8
1.65
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36024
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-9.10
12.8
-21.9
1.59
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36012
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-9.08
0.298
-9.39
1.59
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36021
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-9.06
9.09
-18.2
1.59
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM7886
MMDB
PC cid
PC sid
PDB
MMDB
PC cid
PC sid
PDB
-9
11.0
-20
1.57
10
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36012
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-8.94
1.31
-10.2
1.57
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36012
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-8.81
10.0
-18.8
1.54
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36021
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-8.65
12.0
-20.7
1.51
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM50049797
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-8.58
7.90
-16.5
1.51
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36032
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-8.54
0.209
-8.70
1.51
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36026
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-8.54
6.91
-15.5
1.51
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM50049797
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-8.46
9.80
-18.3
1.48
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36019
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
PDB
-8.44
6.59
-15
1.48
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36031
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-8.30
-2.00
-6.30
1.45
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36012
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-8.16
5.39
-13.6
1.43
5
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM7886
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
MMDB
PC cid
PC sid
PDB
-8
31.0
-39
1.40
10
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM11
BDBM36023
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-7.90
-1.49
-6.40
1.38
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
BDBM4
BDBM36027
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-7.85
8.91
-16.8
1.37
6.90
24.9
NIST
J Am Chem Soc
117:
8830
-
40
(1995)
Displayed 1 to 50 (of 83 total ) |
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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