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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | ATP-dependent translocase ABCB1 | ||
| Ligand | BDBM50249818 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_498556 (CHEMBL974429) | ||
| IC50 | 7900±n/a nM | ||
| Citation |  Gannon, MK; Holt, JJ; Bennett, SM; Wetzel, BR; Loo, TW; Bartlett, MC; Clarke, DM; Sawada, GA; Higgins, JW; Tombline, G; Raub, TJ; Detty, MR Rhodamine inhibitors of P-glycoprotein: an amide/thioamide"switch" for ATPase activity. J Med Chem52:3328-41 (2009) [PubMed] Article | ||
| 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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| BDBM50249818 | |||
| n/a | |||
| Name | BDBM50249818 | ||
| Synonyms: | 3,6-Bis(dimethylamino)-9-(N-piperidyl-2-thienyl-5-thiocarboxamido)thioxanthylium Hexafluorophosphate | CHEMBL495469 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H30N3S3 | ||
| Mol. Mass. | 492.742 | ||
| SMILES | CN(C)c1ccc2c(-c3ccc(s3)C(=S)N3CCCCC3)c3ccc(cc3sc2c1)=[N+](C)C |(-10.12,-23.54,;-8.79,-24.31,;-8.79,-25.85,;-7.46,-23.54,;-7.45,-22,;-6.12,-21.22,;-4.79,-21.99,;-3.45,-21.2,;-3.46,-19.66,;-4.71,-18.76,;-4.24,-17.3,;-2.7,-17.29,;-2.22,-18.75,;-1.81,-16.04,;-2.45,-14.63,;-.28,-16.19,;.34,-17.58,;1.86,-17.74,;2.75,-16.5,;2.12,-15.1,;.6,-14.94,;-2.1,-21.98,;-.76,-21.19,;.59,-21.96,;.61,-23.53,;-.74,-24.31,;-2.1,-23.54,;-3.44,-24.31,;-4.78,-23.54,;-6.12,-24.31,;1.94,-24.29,;1.95,-25.83,;3.27,-23.51,)| | ||
| Structure | 
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