Reaction Details Report a problem with these data
Target
Bromodomain testis-specific protein
Ligand
BDBM50576438
Substrate
n/a
Meas. Tech.
ChEMBL_2127268 (CHEMBL4836613)
IC50
1.6±n/a nM
Citation
 Lucas, SCC; Atkinson, SJ; Chung, CW; Davis, R; Gordon, L; Grandi, P; Gray, JJR; Grimes, T; Phillipou, A; Preston, AG; Prinjha, RK; Rioja, I; Taylor, S; Tomkinson, NCO; Wall, I; Watson, RJ; Woolven, J; Demont, EH Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors. J Med Chem 64:10711-10741 (2021) [PubMed]  Article 
Target
Name:
Bromodomain testis-specific protein
Synonyms:
BRDT | BRDT_HUMAN | Bromodomain and extra-terminal motif (BET) | CT9 | Cancer/testis antigen 9 | RING3-like protein
Type:
PROTEIN
Mol. Mass.:
107982.01
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1502985
Residue:
947
Sequence:
MSLPSRQTAIIVNPPPPEYINTKKNGRLTNQLQYLQKVVLKDLWKHSFSWPFQRPVDAVKLQLPDYYTIIKNPMDLNTIKKRLENKYYAKASECIEDFNTMFSNCYLYNKPGDDIVLMAQALEKLFMQKLSQMPQEEQVVGVKERIKKGTQQNIAVSSAKEKSSPSATEKVFKQQEIPSVFPKTSISPLNVVQGASVNSSSQTAAQVTKGVKRKADTTTPATSAVKASSEFSPTFTEKSVALPPIKENMPKNVLPDSQQQYNVVKTVKVTEQLRHCSEILKEMLAKKHFSYAWPFYNPVDVNALGLHNYYDVVKNPMDLGTIKEKMDNQEYKDAYKFAADVRLMFMNCYKYNPPDHEVVTMARMLQDVFETHFSKIPIEPVESMPLCYIKTDITETTGRENTNEASSEGNSSDDSEDERVKRLAKLQEQLKAVHQQLQVLSQVPFRKLNKKKEKSKKEKKKEKVNNSNENPRKMCEQMRLKEKSKRNQPKKRKQQFIGLKSEDEDNAKPMNYDEKRQLSLNINKLPGDKLGRVVHIIQSREPSLSNSNPDEIEIDFETLKASTLRELEKYVSACLRKRPLKPPAKKIMMSKEELHSQKKQELEKRLLDVNNQLNSRKRQTKSDKTQPSKAVENVSRLSESSSSSSSSSESESSSSDLSSSDSSDSESEMFPKFTEVKPNDSPSKENVKKMKNECIPPEGRTGVTQIGYCVQDTTSANTTLVHQTTPSHVMPPNHHQLAFNYQELEHLQTVKNISPLQILPPSGDSEQLSNGITVMHPSGDSDTTMLESECQAPVQKDIKIKNADSWKSLGKPVKPSGVMKSSDELFNQFRKAAIEKEVKARTQELIRKHLEQNTKELKASQENQRDLGNGLTVESFSNKIQNKCSGEEQKEHQQSSEAQDKSKLWLLKDRDLARQKEQERRRREAMVGTIDMTLQSDIMTMFENNFD
  
Inhibitor
Name:
BDBM50576438
Synonyms:
CHEMBL4869149
Type:
Small organic molecule
Emp. Form.:
C24H26N2O4
Mol. Mass.:
406.4742
SMILES:
[H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
Structure:
Search PDB for entries with ligand similarity: