Reaction Details Report a problem with these data
Target
Polycomb protein EED
Ligand
BDBM50540018
Substrate
n/a
Meas. Tech.
ChEMBL_1979924 (CHEMBL4613059)
IC50
0.500000±n/a nM
Citation
 Rej, RK; Wang, C; Lu, J; Wang, M; Petrunak, E; Zawacki, KP; McEachern, D; Fernandez-Salas, E; Yang, CY; Wang, L; Li, R; Chinnaswamy, K; Wen, B; Sun, D; Stuckey, J; Zhou, Y; Chen, J; Tang, G; Wang, S EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J Med Chem 63:7252-7267 (2020) [PubMed]  Article 
Target
Name:
Polycomb protein EED
Synonyms:
EED | EED_HUMAN | WAIT-1 | WD protein associating with integrin cytoplasmic tails 1 | hEED
Type:
Protein
Mol. Mass.:
50201.68
Organism:
Homo sapiens (Human)
Description:
O75530
Residue:
441
Sequence:
MSEREVSTAPAGTDMPAAKKQKLSSDENSNPDLSGDENDDAVSIESGTNTERPDTPTNTPNAPGRKSWGKGKWKSKKCKYSFKCVNSLKEDHNQPLFGVQFNWHSKEGDPLVFATVGSNRVTLYECHSQGEIRLLQSYVDADADENFYTCAWTYDSNTSHPLLAVAGSRGIIRIINPITMQCIKHYVGHGNAINELKFHPRDPNLLLSVSKDHALRLWNIQTDTLVAIFGGVEGHRDEVLSADYDLLGEKIMSCGMDHSLKLWRINSKRMMNAIKESYDYNPNKTNRPFISQKIHFPDFSTRDIHRNYVDCVRWLGDLILSKSCENAIVCWKPGKMEDDIDKIKPSESNVTILGRFDYSQCDIWYMRFSMDFWQKMLALGNQVGKLYVWDLEVEDPHKAKCTTLTHHKCGAAIRQTSFSRDSSILIAVCDDASIWRWDRLR
  
Inhibitor
Name:
BDBM50540018
Synonyms:
CHEMBL4642335
Type:
Small organic molecule
Emp. Form.:
C20H19FN6O3S
Mol. Mass.:
442.467
SMILES:
Cn1cc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Structure:
Search PDB for entries with ligand similarity: