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PDB code 1GX8

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactoglobulin

  (162/162 = 100%)
(Bos taurus)
BDBM50092056
PNG
((2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclo...)
Show SMILES C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:12|
Show InChI InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
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Article
PubMed
n/an/an/a 36n/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Binding affinity to bovine beta-lactoglobulins by fluorescence spectroscopy


J Med Chem 53: 514-8 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output