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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Cell Reactant: | Bromodomain-containing protein 4 (BRD4) | ||
| Syringe Reactant: | BDBM205431 | ||
| Meas. Tech.: | Enzyme Inhibition | ||
| Entry Date: | 12/15/16 | ||
| ΔG°: | -10.6± (kcal/mole) | ||
| pH: | n/a | ||
| Log10Kb: | 7.79± n/a | ||
| Temperature: | 298.15±0 (K) | ||
| ΔH° : | -9.90±0.210 (kcal/mole) | ||
| ΔHobs: | n/a | ||
| Ionic Strength: | n/a | ||
| n/a | |||
| Protons Released: | n/a | ||
| ΔCp : | n/a | ||
| Stoich. Param.: | n/a | ||
| ΔS° : | 0±0 (kcal/mole-K) | ||
| Comments: | n/a | ||
| 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 , ITC RUN data | ||
| Bromodomain-containing protein 4 (BRD4) | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| 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: |
| ||
| BDBM205431 | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name | BDBM205431 | ||
| Synonyms: | (6S+2S)-PEG1 (7) | ||
| Type | Small organic molecule | ||
| Emp. Form. | C43H42Cl2N10O5S2 | ||
| Mol. Mass. | 913.894 | ||
| SMILES | COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,36| | ||
| Structure | 
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