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PDB code 4IHL

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
14-3-3 protein zeta/delta

  (230/230 = 100%)
(Homo sapiens)
BDBM50454781
PNG
(CHEMBL4206466)
Show SMILES COC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(COC)\C3=C\[C@@]3(C)CCC(C(C)C)=C23)[C@H](O)[C@H]2O[C@H]3O[C@@]12O[C@@]3(C)[C@@H]1CO1
Show InChI InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1
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PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 9n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (unknown origin) assessed as stabilization of protein-protein interaction between 14-3-3zeta and fluorescein-labeled p...


Bioorg Med Chem Lett 28: 646-650 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.030
BindingDB Entry DOI: 10.7270/Q2DB84GR
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