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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Albumin | ||
| Ligand | BDBM50078155 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1472594 (CHEMBL3417959) | ||
| Ki | 1450±n/a nM | ||
| Citation |  Bruncko, M; Wang, L; Sheppard, GS; Phillips, DC; Tahir, SK; Xue, J; Erickson, S; Fidanze, S; Fry, E; Hasvold, L; Jenkins, GJ; Jin, S; Judge, RA; Kovar, PJ; Madar, D; Nimmer, P; Park, C; Petros, AM; Rosenberg, SH; Smith, ML; Song, X; Sun, C; Tao, ZF; Wang, X; Xiao, Y; Zhang, H; Tse, C; Leverson, JD; Elmore, SW; Souers, AJ Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J Med Chem58:2180-94 (2015) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Albumin | |||
| Name: | Albumin | ||
| Synonyms: | ALB | ALBU_HUMAN | Serum albumin | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 69362.94 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_1509401 | ||
| Residue: | 609 | ||
| Sequence: |
| ||
| BDBM50078155 | |||
| n/a | |||
| Name | BDBM50078155 | ||
| Synonyms: | CHEMBL3417697 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H38N4O4 | ||
| Mol. Mass. | 566.6899 | ||
| SMILES | Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-7.41,-13.93,;-6.18,-13.93,;-5.27,-15.18,;-3.8,-14.7,;-2.8,-15.42,;-3.8,-13.16,;-2.81,-12.42,;-5.26,-12.7,;-5.75,-11.24,;-7.28,-10.92,;-7.77,-9.46,;-6.73,-8.28,;-5.22,-8.61,;-3.98,-7.73,;-3.99,-6.18,;-2.65,-5.41,;-2.66,-3.86,;-1.33,-3.08,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.58,;-1.29,-8.07,;-.35,-8.87,;-1.06,-6.85,;-3.2,-10.06,;-2.28,-11.29,;-.75,-11.11,;.17,-12.35,;1.71,-12.18,;2.63,-13.42,;2.01,-14.83,;.48,-15.01,;-.44,-13.77,;-4.74,-10.07,)| | ||
| Structure | 
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