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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
55
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
BDBM36139
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-11.3
-0.489
-10.8
2.05
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36145
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-18.5
-1.72
-16.8
3.03
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36139
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-11.3
4.78
-16.0
1.91
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36139
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-10.9
8.40
-19.2
1.78
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36140
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-14.8
-0.834
-13.9
2.68
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36140
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-14.7
2.86
-17.6
2.58
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36140
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-14.7
6.32
-20.9
2.48
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36140
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-14.4
9.58
-23.9
2.36
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36141
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-17.3
-1.81
-15.5
3.14
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36141
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-17.3
2.62
-19.9
3.03
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36141
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-17.1
6.59
-23.7
2.90
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36141
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-16.9
10.4
-27.3
2.77
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36142
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-19.2
-1.70
-17.5
3.49
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36142
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-19.2
2.86
-22.1
3.37
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36142
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-18.9
8.26
-27.1
3.20
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36142
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-18.7
12.4
-31.1
3.06
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36174
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-14.1
-3.14
-11.0
2.55
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36174
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-14.1
0.388
-14.5
2.46
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36174
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-14.2
2.96
-17.0
2.40
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM36174
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-14.1
6.39
-20.5
2.31
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM50240408
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-16.6
-2.65
-14.0
3.02
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM50240408
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-16.6
1.13
-17.7
2.91
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM50240408
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-16.6
4.25
-20.9
2.82
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM4
BDBM50240408
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-16.5
8.27
-24.7
2.70
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36023
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-7.91
-1.49
-6.45
1.38
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36023
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-8.33
0.524
-8.83
1.41
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36023
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-8.62
2.80
-11.3
1.41
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM50067723
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.6
1.81
-12.3
1.92
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM50067723
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.6
3.37
-13.9
1.85
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM50067723
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.5
4.78
-15.2
1.78
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM50067723
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-10.3
6.68
-17.0
1.69
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36026
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-11.7
-6.87
-4.77
2.12
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36026
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-12.4
-5.13
-7.33
2.17
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36026
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-12.7
-2.83
-9.88
2.16
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36026
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-13.0
-0.541
-12.5
2.14
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36143
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.1
-1.44
-12.6
2.55
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36143
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.1
0.119
-14.2
2.47
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36143
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.1
2.31
-16.5
2.39
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36143
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-14.1
4.14
-18.2
2.31
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36144
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-10.8
2.76
-13.6
1.97
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36144
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-10.9
4.23
-15.2
1.91
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36144
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-10.8
6.84
-17.6
1.83
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36144
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-10.8
8.27
-19.0
1.76
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36098
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-14.3
-8.20
-6.11
2.60
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36098
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-14.8
-5.61
-9.17
2.59
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36098
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-15.1
-3.24
-12.0
2.56
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM36098
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-15.3
-0.414
-14.9
2.51
6.90
45
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM5
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-16.1
-13.3
-2.85
2.93
6.90
14.5
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM5
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-16.2
-9.75
-6.49
2.84
6.90
25
NIH
Biophys J
71:
2144
-
54
(1996)
BDBM11
BDBM5
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-16.4
-6.59
-9.80
2.77
6.90
35
NIH
Biophys J
71:
2144
-
54
(1996)
Displayed 1 to 50 (of 55 total ) |
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Reorder this table by
ΔG°
Reorder this table by
ΔH°
Reorder this table by
ΔS°
Reorder this table by
T
Change energy unit to:
kcal/mol