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BDBM50462845 CHEMBL4244843

SMILES: [H][C@@]12CC[C@H](COC)\C1=C\[C@@]1(C)[C@@H](O)CC([C@H](C)COC(C)=O)=C1[C@@H](O[C@@]1([H])O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](OC(C)=O)[C@H]1O)[C@H](O)[C@@H]2C

InChI Key: InChIKey=KXTYBXCEQOANSX-WYKQKOHHSA-N

Data: 1 Kd

PDB links: 11 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50462845   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50462845
PNG
(CHEMBL4244843)
Show SMILES COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](OC(C)=O)[C@H]3O)C3=C(C[C@H](O)[C@]3(C)\C=C1/2)[C@H](C)COC(C)=O
Show InChI InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
PDB

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UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 700n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged 14-3-3zeta expressed in Escherichia coli assessed as Kd for 14-3-3zeta binding to H+-ATPase peptide motif by iso...


Bioorg Med Chem Lett 28: 2585-2592 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.046
BindingDB Entry DOI: 10.7270/Q21G0PX4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)