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Target
Bromodomain testis-specific protein
Ligand
BDBM50576427
Substrate
n/a
Meas. Tech.
ChEMBL_2127220 (CHEMBL4836565)
IC50
25±n/a nM
Citation
 Seal, JT; Atkinson, SJ; Bamborough, P; Bassil, A; Chung, CW; Foley, J; Gordon, L; Grandi, P; Gray, JRJ; Harrison, LA; Kruger, RG; Matteo, JJ; McCabe, MT; Messenger, C; Mitchell, D; Phillipou, A; Preston, A; Prinjha, RK; Rianjongdee, F; Rioja, I; Taylor, S; Wall, ID; Watson, RJ; Woolven, JM; Wyce, A; Zhang, XP; Demont, EH Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors. J Med Chem 64:10772-10805 (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:
BDBM50576427
Synonyms:
CHEMBL4865767
Type:
Small organic molecule
Emp. Form.:
C21H26N2O4
Mol. Mass.:
370.4421
SMILES:
CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c(o1)[C@@H](C)c1ccccc1 |r,wU:10.9,19.21,wD:13.13,(37.7,-21.47,;37.72,-23.01,;39.06,-23.76,;40.13,-23.13,;39.09,-25.31,;40.34,-26.21,;39.89,-27.68,;40.8,-28.93,;40.3,-30.06,;42.33,-28.74,;43.08,-30.04,;44.58,-30.04,;45.33,-31.34,;44.58,-32.63,;45.33,-33.93,;43.08,-32.63,;42.33,-31.34,;38.35,-27.68,;37.84,-26.23,;37.45,-28.93,;38.07,-30.3,;35.91,-28.79,;35,-30.05,;33.47,-29.9,;32.83,-28.49,;33.73,-27.23,;35.27,-27.39,)|
Structure:
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