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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | ATP-dependent translocase ABCB1 | ||
| Ligand | BDBM50249854 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_498569 (CHEMBL1021068) | ||
| IC50 | 2100±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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| BDBM50249854 | |||
| n/a | |||
| Name | BDBM50249854 | ||
| Synonyms: | 12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-piperidyl-2-thienyl-5-thiocarboxamido)-1H,5H-thioxantheno[2,3,4-ij]quinolizin-14-ium Hexafluorophosphate | CHEMBL450642 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H34N3S3 | ||
| Mol. Mass. | 544.816 | ||
| SMILES | C[N+](C)=c1ccc2c(-c3ccc(s3)C(=S)N3CCCCC3)c3cc4CCCN5CCCc(c45)c3sc2c1 |(1.53,-38.85,;1.52,-37.31,;2.85,-36.53,;.18,-36.55,;.16,-34.98,;-1.19,-34.21,;-2.53,-35,;-3.88,-34.22,;-3.89,-32.68,;-5.14,-31.78,;-4.67,-30.32,;-3.13,-30.31,;-2.65,-31.77,;-2.23,-29.06,;-2.88,-27.65,;-.71,-29.21,;-.09,-30.6,;1.43,-30.76,;2.32,-29.52,;1.7,-28.12,;.17,-27.96,;-5.22,-35.01,;-6.55,-34.24,;-7.88,-35.02,;-9.22,-34.25,;-10.55,-35.02,;-10.55,-36.56,;-9.22,-37.33,;-9.22,-38.87,;-7.89,-39.64,;-6.55,-38.87,;-6.55,-37.33,;-7.88,-36.56,;-5.21,-36.56,;-3.87,-37.33,;-2.52,-36.56,;-1.17,-37.33,)| | ||
| Structure | 
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