BDBM50041386 Alpha-Tocopherylquinone::CHEMBL1223852

SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O

InChI Key InChIKey=LTVDFSLWFKLJDQ-IEOSBIPESA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50041386   

TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Nanchang University

Curated by ChEMBL
LigandPNGBDBM50041386(Alpha-Tocopherylquinone | CHEMBL1223852)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
Show InChI InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
Affinity DataIC50: 2.32E+4nMAssay Description:Inhibition of CDC25B (unknown origin) using pNPP as substrate by spectrophotometryMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Nanchang University

Curated by ChEMBL
LigandPNGBDBM50041386(Alpha-Tocopherylquinone | CHEMBL1223852)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
Show InChI InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
Affinity DataIC50: 3.85E+3nMAssay Description:Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometryMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Nanchang University

Curated by ChEMBL
LigandPNGBDBM50041386(Alpha-Tocopherylquinone | CHEMBL1223852)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
Show InChI InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
Affinity DataIC50: 3.51E+4nMAssay Description:Inhibition of TC-PTP (unknown origin) using pNPP as substrate by spectrophotometryMore data for this Ligand-Target Pair