| Reaction Details |
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 | Report a problem with these data |
| Target | Bile salt export pump |
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| Ligand | BDBM50367218 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1735745 (CHEMBL4151281) |
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| IC50 | 1400±n/a nM |
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| Citation |  Chen, HY; Plummer, CW; Xiao, D; Chobanian, HR; DeMong, D; Miller, M; Trujillo, ME; Kirkland, M; Kosinski, D; Mane, J; Pachanski, M; Cheewatrakoolpong, B; Di Salvo, J; Thomas-Fowlkes, B; Souza, S; Tatosian, DA; Chen, Q; Hafey, MJ; Houle, R; Nolting, AF; Orr, R; Ehrhart, J; Weinglass, AB; Tschirret-Guth, R; Howard, AD; Colletti, SL Structure-Activity Relationship of Novel and Selective Biaryl-Chroman GPR40 AgoPAMs. ACS Med Chem Lett9:685-690 (2018) [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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| BDBM50367218 |
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| n/a |
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| Name | BDBM50367218 |
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| Synonyms: | CHEMBL4159416 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H28FNaO4 |
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| Mol. Mass. | 482.5184 |
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| SMILES | [Na;v0+].[#6]-[#8]-c1ccc(F)c(c1)-c1ccc(cc1)-[#6]-1-[#6]-[#6]-c2ccc(cc2-[#8]-1)-[#6@@H](-[#6@H](-[#6])-[#6](-[#8-])=O)-[#6]-1-[#6]-[#6]-1 |r| |
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| Structure | 
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