Reaction Details | |||
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Target | ATP-dependent translocase ABCB1 | ||
Ligand | BDBM50119425 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_147866 (CHEMBL755182) | ||
IC50 | 1300±n/a nM | ||
Citation | Loor, F; Tiberghien, F; Wenandy, T; Didier, A; Traber, R Cyclosporins: structure-activity relationships for the inhibition of the human MDR1 P-glycoprotein ABC transporter. J Med Chem45:4598-612 (2002) [PubMed] | ||
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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BDBM50119425 | |||
n/a | |||
Name | BDBM50119425 | ||
Synonyms: | 33-(1-Hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3-isopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-21,30-dipropyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | CID44360850 | cyclo-[MeBmt-Nva-MeGly-MeLeu-Nva-MeLeu-Ala-D-Ala-MeLeu-MeLeu-MeVal]33-(1-Hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3-isopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-21,30-dipropyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | cyclosporin analogue 31 | ||
Type | Small organic molecule | ||
Emp. Form. | C63H113N11O12 | ||
Mol. Mass. | 1216.6378 | ||
SMILES | CCCC1NC(=O)C([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C(C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)C(CCC)NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C1=O | ||
Structure |