Reaction Details | |||
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Target | ATP-dependent translocase ABCB1 | ||
Ligand | BDBM50489306 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_934786 (CHEMBL2318920) | ||
IC50 | 70±n/a nM | ||
Citation | ![]() | ||
More Info.: | Get all data from this article, Assay Method | ||
ATP-dependent translocase ABCB1 | |||
Name: | ATP-dependent translocase ABCB1 | ||
Synonyms: | ABCB1 | MDR1 | MDR1_HUMAN | Multidrug Resistance Transporter MDR 1 | Multidrug resistance protein 1 | Multidrug resistance protein 1/Multidrug resistance associated protein 1 | P-glycoprotein (P-gp) | P-glycoprotein 1 | PGY1 | ||
Type: | Protein | ||
Mol. Mass.: | 141503.50 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P08183 | ||
Residue: | 1280 | ||
Sequence: |
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BDBM50489306 | |||
n/a | |||
Name | BDBM50489306 | ||
Synonyms: | CHEMBL1643345 | ||
Type | Small organic molecule | ||
Emp. Form. | C35H45NO10 | ||
Mol. Mass. | 639.7325 | ||
SMILES | [H][C@@]1(CC[C@@H](CC1)OC(=O)C#Cc1cc(OC)c(OC)c(OC)c1)N(C)[C@H]1CC[C@@H](CC1)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r,wU:29.34,4.7,1.0,wD:26.27,(10.45,-4.55,;11.79,-5.32,;13.12,-6.11,;14.45,-5.35,;14.46,-3.81,;13.13,-3.03,;11.8,-3.79,;15.81,-3.04,;17.13,-3.82,;17.13,-5.36,;18.47,-3.06,;19.81,-2.29,;21.15,-1.52,;21.14,.01,;22.47,.77,;22.47,2.31,;23.8,3.08,;23.82,-.01,;25.15,.77,;26.48,-.01,;23.8,-1.55,;25.13,-2.31,;25.13,-3.86,;22.47,-2.3,;10.46,-6.09,;10.45,-7.64,;9.12,-5.32,;9.12,-3.78,;7.78,-3,;6.46,-3.78,;6.46,-5.32,;7.78,-6.08,;5.13,-3,;3.79,-3.78,;3.8,-5.32,;2.45,-3.01,;2.45,-1.46,;1.12,-.69,;1.11,.85,;2.44,1.62,;-.21,-1.46,;-1.55,-.7,;-1.55,.85,;-.22,-3.01,;-1.55,-3.78,;-2.88,-3.01,;1.12,-3.78,)| | ||
Structure | ![]() |