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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bromodomain-containing protein 4 [44-168] | ||
| Ligand | BDBM205454 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | AlphaScreen BRD Binding Assay | ||
| pH | 7.5±n/a | ||
| Temperature | 298.15±n/a K | ||
| IC50 | 5.8±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 Biol12:1089-1096 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Bromodomain-containing protein 4 [44-168] | |||
| Name: | Bromodomain-containing protein 4 [44-168] | ||
| Synonyms: | BET bromodomain 4(1) (BRD4(1)) | BRD4 | BRD4-BD1 protein (aa 44-168) | BRD4_HUMAN | Bromodomain protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 (BRD4) (aa 44-168) | Bromodomain-containing protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 bromodomain 1 (BRD4-BD1) | HUNK1 | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 14866.49 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | aa (44-168) | ||
| Residue: | 125 | ||
| Sequence: |
| ||
| BDBM205454 | |||
| n/a | |||
| 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 | 
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