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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
58
hits with all data for this entryid
Cell (A)
Syringe (B)
Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log K
pH
Temp
°C
BDBM36127
BDBM36035
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-1.62
3.35
-4.97
1.19
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM11
BDBM36135
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-2.70
-0.598
-2.10
1.98
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36037
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.80
0.164
-2.96
2.06
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36038
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.90
0.712
-3.61
2.13
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36061
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.05
0.883
-3.94
2.24
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36062
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.15
0.762
-3.92
2.31
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36067
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-3.94
1.74
-5.68
2.89
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36068
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-3.99
1.89
-5.88
2.92
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36128
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.92
0.427
-3.35
2.14
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36129
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-3.60
-0.598
-3.00
2.64
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36091
PC cid
PC sid
PC cid
PC sid
-3.75
0.812
-4.56
2.75
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36092
PC cid
PC sid
PC cid
PC sid
-3.51
0.356
-3.87
2.57
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36130
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.95
2.05
-4.99
2.16
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36131
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.96
2.29
-4.25
1.44
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM26983
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-1.36
2.63
-3.94
1
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36133
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.36
-0.491
-1.87
1.73
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36134
PC cid
PC sid
KEGG
PC cid
PC sid
-3.08
-0.427
-2.64
2.26
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36033
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.41
-0.833
-1.58
1.76
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36034
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.58
-0.876
-1.71
1.89
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36049
PC cid
PC sid
PC cid
PC sid
-3.87
-1.24
-2.63
2.84
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36050
PC cid
PC sid
PC cid
PC sid
-3.78
-1.22
-2.56
2.77
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36069
PC cid
PC sid
PC cid
PC sid
-3.08
-0.577
-2.51
2.26
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36070
PC cid
PC sid
PC cid
PC sid
-3.05
-0.527
-2.53
2.24
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36096
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.21
-1.24
-1.96
2.35
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36097
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.14
-1.15
-2.00
2.30
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36098
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.59
-1.57
-2.01
2.63
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36099
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.60
-1.55
-2.05
2.64
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36102
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-3.28
-0.242
-3.03
2.40
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36103
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-3.10
-0.598
-2.51
2.28
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36026
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-3.33
-1.50
-1.84
2.44
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36135
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-3.36
-0.933
-2.44
2.46
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36075
PC cid
PC sid
PC cid
PC sid
-2.45
-1.24
-1.22
1.80
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36076
PC cid
PC sid
PC cid
PC sid
-2.24
-1.36
-0.874
1.64
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36079
PC cid
PC sid
PC cid
PC sid
-3.24
-1.64
-1.59
2.37
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36080
PC cid
PC sid
PC cid
PC sid
-3.24
-1.98
-1.26
2.38
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36081
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.17
-0.406
-1.77
1.59
6.10
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36082
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.21
-0.214
-2.01
1.62
6.10
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36083
PC cid
PC sid
KEGG
PC cid
PC sid
-4.58
-2.13
-2.46
3.36
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36084
PC cid
PC sid
KEGG
PC cid
PC sid
-4.33
-2.56
-1.77
3.17
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM50129068
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-2.37
-0.762
-1.61
1.74
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM50129063
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-2.25
-1.08
-1.17
1.64
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36089
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.08
-1.17
-0.908
1.52
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36090
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.48
-0.648
-0.836
1.08
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36051
PC cid
PC sid
PC cid
PC sid
-3.54
-0.263
-3.28
2.60
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36052
PC cid
PC sid
PC cid
PC sid
-3.47
-0.385
-3.09
2.55
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36057
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.81
-0.790
-2.03
2.06
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36058
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.80
-0.548
-2.25
2.05
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM5
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.68
-2.29
-1.38
2.70
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36073
PC cid
PC sid
PC cid
PC sid
-3.10
-1.46
-1.64
2.27
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
BDBM36127
BDBM36074
PC cid
PC sid
PC cid
PC sid
-3.12
-1.48
-1.64
2.29
6.90
25
Japan Science and Technology Agency
J Am Chem Soc
124:
813
-
26
(2002)
Displayed 1 to 50 (of 58 total ) |
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Reorder this table by
ΔG°
Reorder this table by
ΔH°
Reorder this table by
ΔS°
Reorder this table by
pH
Change energy unit to:
kJ/mol