Reaction Details | |||
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Target | ATP-dependent translocase ABCB1 | ||
Ligand | BDBM50249906 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_498553 (CHEMBL974426) | ||
IC50 | 4600±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: | Abcb1a | Abcb4 | MDR1A_MOUSE | Mdr1a | Mdr3 | P-glycoprotein (P-gp) | P-glycoprotein 1 and 3 (MDR1a/MDR1b) | P-glycoprotein 3 | Pgy-3 | Pgy3 | ||
Type: | Protein | ||
Mol. Mass.: | 140669.02 | ||
Organism: | Mus musculus (Mouse) | ||
Description: | P21447 | ||
Residue: | 1276 | ||
Sequence: |
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BDBM50249906 | |||
n/a | |||
Name | BDBM50249906 | ||
Synonyms: | 3,6-Bis(N,N-dimethylamino)-9-(2-thienyl-5-carboxamido)-thioxanthylium Hexafluorophosphate | CHEMBL524129 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H22N3OS2 | ||
Mol. Mass. | 408.559 | ||
SMILES | CN(C)c1ccc2c(-c3ccc(s3)C(N)=O)c3ccc(cc3sc2c1)=[N+](C)C |(-7.56,-34.74,;-6.23,-35.51,;-6.23,-37.04,;-4.9,-34.74,;-4.89,-33.2,;-3.57,-32.43,;-2.23,-33.19,;-.9,-32.4,;-.91,-30.87,;.32,-29.95,;-.16,-28.49,;-1.7,-28.5,;-2.17,-29.97,;-2.61,-27.26,;-1.99,-25.86,;-4.14,-27.44,;.45,-33.18,;1.79,-32.39,;3.14,-33.16,;3.15,-34.72,;1.8,-35.51,;.45,-34.74,;-.89,-35.51,;-2.23,-34.74,;-3.56,-35.51,;4.49,-35.48,;4.5,-37.02,;5.81,-34.71,)| | ||
Structure |