BDBM39642 3-chloranyl-N-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]aniline::3-chloro-N-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]aniline::3-chloro-N-[[5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]methyl]aniline::MLS000525571::SMR000116045::[5-(4-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-ylmethyl]-(3-chloro-phenyl)-amine::[5-[(4-chlorobenzyl)thio]-1,3,4-oxadiazol-2-yl]methyl-(3-chlorophenyl)amine::cid_1124649

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

InChI Key InChIKey=OPUOQEYJBZDOGS-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 39642   

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 39642BDBM39642(N-((4,6-dimethyl-2-carbonyl-1,2-dihydropyridin-3-y...)
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 39642BDBM39642(N-((4,6-dimethyl-2-carbonyl-1,2-dihydropyridin-3-y...)
Affinity DataIC50: 0.660nMAssay 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 39642BDBM39642(N-((4,6-dimethyl-2-carbonyl-1,2-dihydropyridin-3-y...)
Affinity DataIC50: 0.830nMAssay 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 39642BDBM39642(N-((4,6-dimethyl-2-carbonyl-1,2-dihydropyridin-3-y...)
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