Reaction Details
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Report a problem with these dataTarget
Bromodomain testis-specific protein [21-137]
Ligand
BDBM205447
Substrate
n/a
Meas. Tech.
AlphaScreen BRD Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
21.7±0.0 nM
Comments
extracted
Citation
Tanaka, M; Roberts, JM; Seo, HS; Souza, A; Paulk, J; Scott, TG; DeAngelo, SL; Dhe-Paganon, S; Bradner, JE Design and characterization of bivalent BET inhibitors. Nat Chem Biol 12:1089-1096 (2016) [PubMed] Article More Info.:
Target
Name:
Bromodomain testis-specific protein [21-137]
Synonyms:
BRDT | BRDT_HUMAN | Bromodomain testis 1 (BRDT(1))
Type:
n/a
Mol. Mass.:
13934.55
Organism:
Homo sapiens (Human)
Description:
Q58F21 (BRDT, 21-137)
Residue:
117
Sequence:
NTKKNGRLTNQLQYLQKVVLKDLWKHSFSWPFQRPVDAVKLQLPDYYTIIKNPMDLNTIKKRLENKYYAKASECIEDFNTMFSNCYLYNKPGDDIVLMAQALEKLFMQKLSQMPQEE
Inhibitor
Name:
BDBM205447
Synonyms:
2S+IBET-PEG4 (27)
Type:
Small organic molecule
Emp. Form.:
C55H60ClN11O11S
Mol. Mass.:
1118.65
SMILES:
COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1 |r,wD:62.68,c:6,(-6.17,1.55,;-4.68,2.29,;-3.42,1.17,;-3.58,-.38,;-2.34,1.92,;-1.01,1.15,;-.39,-.26,;1.1,-.66,;2.34,.25,;3.82,-.15,;3.93,-1.48,;4.66,1.15,;3.69,2.34,;2.39,1.79,;1.23,2.8,;1.38,4.36,;2.71,5.13,;-.03,4.99,;-1.06,3.84,;-.29,2.51,;5.67,.63,;5.67,-.66,;6.84,1.15,;7.93,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.6,.83,;15.69,-.26,;17.02,.51,;18.11,-.58,;19.77,.19,;20.78,-.58,;22.33,.52,;23.97,-.57,;24.75,.2,;27.2,.22,;28.53,-.55,;28.42,-2.64,;29.62,.54,;30.95,-.23,;32.11,.54,;32.11,2.08,;33.44,2.85,;34.78,2.08,;36.11,2.85,;37.45,2.08,;38.78,2.85,;40.11,2.08,;40.11,.54,;41.2,3.17,;40.5,4.54,;38.98,4.3,;37.89,5.39,;37.45,.54,;38.78,-.23,;40.11,-1,;36.11,-.23,;34.78,.54,;33.44,-.23,;32.97,-1.7,;33.97,-2.63,;35.51,-2.25,;33.53,-3.8,;31.99,-3.8,;31.22,-5.14,;31.99,-6.47,;33.53,-6.47,;34.3,-5.14,;31.43,-1.7,;30.66,-3.03,;1.5,-2.15,;2.98,-2.55,;3.38,-4.04,;2.29,-5.12,;2.69,-6.61,;.81,-4.73,;.41,-3.24,)|
Structure:
