| Reaction Details |
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 | Report a problem with these data |
| Target | Bile salt export pump |
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| Ligand | BDBM50067678 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1678644 (CHEMBL4028921) |
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| IC50 | 15700±n/a nM |
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| Citation |  Morgan, RE; van Staden, CJ; Chen, Y; Kalyanaraman, N; Kalanzi, J; Dunn, RT; Afshari, CA; Hamadeh, HK A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci136:216-41 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Bile salt export pump |
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| Name: | Bile salt export pump |
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| Synonyms: | ABCB11 | ABCBB_HUMAN | ATP-binding cassette sub-family B member 11 | BSEP | Bile Salt Export Pump, BSEP | Bile salt export pump | Bile salt export pump (BSEP) |
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| Type: | Protein |
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| Mol. Mass.: | 146405.49 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O95342 |
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| Residue: | 1321 |
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| Sequence: | MSDSVILRSIKKFGEENDGFESDKSYNNDKKSRLQDEKKGDGVRVGFFQLFRFSSSTDIW
LMFVGSLCAFLHGIAQPGVLLIFGTMTDVFIDYDVELQELQIPGKACVNNTIVWTNSSLN
QNMTNGTRCGLLNIESEMIKFASYYAGIAVAVLITGYIQICFWVIAAARQIQKMRKFYFR
RIMRMEIGWFDCNSVGELNTRFSDDINKINDAIADQMALFIQRMTSTICGFLLGFFRGWK
LTLVIISVSPLIGIGAATIGLSVSKFTDYELKAYAKAGVVADEVISSMRTVAAFGGEKRE
VERYEKNLVFAQRWGIRKGIVMGFFTGFVWCLIFLCYALAFWYGSTLVLDEGEYTPGTLV
QIFLSVIVGALNLGNASPCLEAFATGRAAATSIFETIDRKPIIDCMSEDGYKLDRIKGEI
EFHNVTFHYPSRPEVKILNDLNMVIKPGEMTALVGPSGAGKSTALQLIQRFYDPCEGMVT
VDGHDIRSLNIQWLRDQIGIVEQEPVLFSTTIAENIRYGREDATMEDIVQAAKEANAYNF
IMDLPQQFDTLVGEGGGQMSGGQKQRVAIARALIRNPKILLLDMATSALDNESEAMVQEV
LSKIQHGHTIISVAHRLSTVRAADTIIGFEHGTAVERGTHEELLERKGVYFTLVTLQSQG
NQALNEEDIKDATEDDMLARTFSRGSYQDSLRASIRQRSKSQLSYLVHEPPLAVVDHKST
YEEDRKDKDIPVQEEVEPAPVRRILKFSAPEWPYMLVGSVGAAVNGTVTPLYAFLFSQIL
GTFSIPDKEEQRSQINGVCLLFVAMGCVSLFTQFLQGYAFAKSGELLTKRLRKFGFRAML
GQDIAWFDDLRNSPGALTTRLATDASQVQGAAGSQIGMIVNSFTNVTVAMIIAFSFSWKL
SLVILCFFPFLALSGATQTRMLTGFASRDKQALEMVGQITNEALSNIRTVAGIGKERRFI
EALETELEKPFKTAIQKANIYGFCFAFAQCIMFIANSASYRYGGYLISNEGLHFSYVFRV
ISAVVLSATALGRAFSYTPSYAKAKISAARFFQLLDRQPPISVYNTAGEKWDNFQGKIDF
VDCKFTYPSRPDSQVLNGLSVSISPGQTLAFVGSSGCGKSTSIQLLERFYDPDQGKVMID
GHDSKKVNVQFLRSNIGIVSQEPVLFACSIMDNIKYGDNTKEIPMERVIAAAKQAQLHDF
VMSLPEKYETNVGSQGSQLSRGEKQRIAIARAIVRDPKILLLDEATSALDTESEKTVQVA
LDKAREGRTCIVIAHRLSTIQNADIIAVMAQGVVIEKGTHEELMAQKGAYYKLVTTGSPI
S
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| BDBM50067678 |
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| n/a |
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| Name | BDBM50067678 |
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| Synonyms: | (6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione | (6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate | 17-Acetoxy-6alpha-methylprogesterone | 17alpha-Hydroxy-6alpha-methylprogesterone acetate | 6-alpha-Methyl-17-alpha-acetoxyprogesterone | 6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate | 6alpha-Methyl-17-acetoxy progesterone | 6alpha-Methyl-17alpha-hydroxyprogesterone acetate | 6alpha-Methyl-4-pregnene-3,20-dion-17alpha-ol acetate | MEDROXYPROGESTERONE | Medroxyacetate progesterone | Medroxyprogesterone 17-acetate | Methylacetoxyprogesterone | Metigestrona | US9271961, MPA | medroxyprogesterone acetate |
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| Type | Small organic molecule |
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| Emp. Form. | C24H34O4 |
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| Mol. Mass. | 386.5244 |
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| SMILES | C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| |
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| Structure | 
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