BDBM39666 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetonitrile::2-[4-(4-fluorobenzoyl)phenyl]-2-(p-tolyl)acetonitrile::2-[4-(4-fluorophenyl)carbonylphenyl]-2-(4-methylphenyl)ethanenitrile::2-[4-[(4-fluorophenyl)-oxomethyl]phenyl]-2-(4-methylphenyl)acetonitrile::MLS000539977::SMR000125435::cid_2774427

SMILES CCN(c5cc(c1ccc2c(c1)CCC2N3CCOCC3)c(Cl)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)c5C)C6CCOCC6

InChI Key InChIKey=GUKLNCCRZXVGHO-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 39666   

TargetHistone-lysine N-methyltransferase EZH2 [Y641N]/Polycomb protein EED/Polycomb protein SUZ12(Human)
Shanghai Synergy Pharmaceutical Sciences Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 39666BDBM39666(2-chloro-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-...)
Affinity DataIC50: 0.370nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
In Depth
Date in BDB:
8/17/2026
Entry Details
US Patent

TargetHistone-lysine N-methyltransferase EZH2 [A677G]/Polycomb protein EED/Polycomb protein SUZ12(Human)
Shanghai Synergy Pharmaceutical Sciences Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 39666BDBM39666(2-chloro-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-...)
Affinity DataIC50: 0.590nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
In Depth
Date in BDB:
8/17/2026
Entry Details
US Patent

TargetHistone-lysine N-methyltransferase EZH2 [Y641F]/Polycomb protein EED/Polycomb protein SUZ12(Human)
Shanghai Synergy Pharmaceutical Sciences Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 39666BDBM39666(2-chloro-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-...)
Affinity DataIC50: 0.890nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2026
Entry Details
US Patent

TargetHistone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12(Human)
Shanghai Synergy Pharmaceutical Sciences Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 39666BDBM39666(2-chloro-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-...)
Affinity DataIC50: 0.950nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2026
Entry Details
US Patent