Reaction Details
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Report a problem with these dataTarget
Bromodomain testis-specific protein [21-137]
Ligand
BDBM205454
Substrate
n/a
Meas. Tech.
AlphaScreen BRD Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
23.2±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:
BDBM205454
Synonyms:
2S+IBET-PEG2 (25)
Type:
Small organic molecule
Emp. Form.:
C51H52ClN11O9S
Mol. Mass.:
1030.545
SMILES:
COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1 |r,wD:56.62,c:6,(-5.7,4.34,;-4.06,4.67,;-3.14,3.26,;-3.7,1.8,;-1.9,3.7,;-.81,2.61,;-.58,1.09,;.75,.32,;2.18,.88,;3.52,.11,;3.92,-1.37,;4.66,1.15,;4.04,2.55,;2.64,2.36,;1.77,3.63,;2.33,5.1,;3.81,5.5,;1.13,6.07,;-.16,5.23,;.24,3.74,;5.75,.22,;5.75,-1.07,;6.84,1.15,;7.93,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.6,.83,;15.93,.06,;17.27,.83,;19.03,-.17,;21.02,.8,;21.32,2.14,;22.03,.07,;23.61,.29,;24.77,1.06,;24.77,2.6,;26.1,3.37,;27.44,2.6,;28.77,3.37,;30.1,2.6,;31.44,3.37,;32.77,2.6,;32.77,1.06,;33.86,3.69,;33.16,5.06,;31.64,4.82,;30.55,5.91,;30.1,1.06,;31.44,.29,;32.77,-.48,;28.77,.29,;27.44,1.06,;26.1,.29,;25.63,-1.18,;26.63,-2.11,;28.17,-1.73,;26.19,-3.28,;24.65,-3.28,;23.88,-4.61,;24.65,-5.95,;26.19,-5.95,;26.96,-4.61,;24.09,-1.18,;23.32,-2.51,;.75,-1.22,;2.08,-1.99,;2.08,-3.53,;.75,-4.3,;.75,-5.84,;-.58,-3.53,;-.58,-1.99,)|
Structure:
