| Reaction Details |
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 | Report a problem with these data |
| Target | Solute carrier organic anion transporter family member 1B1 |
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| Ligand | BDBM50139181 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1487742 (CHEMBL3533736) |
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| IC50 | 11000±n/a nM |
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| Citation |  Soars, MG; Barton, P; Ismair, M; Jupp, R; Riley, RJ The development, characterization, and application of an OATP1B1 inhibition assay in drug discovery. Drug Metab Dispos40:1641-8 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Solute carrier organic anion transporter family member 1B1 |
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| Name: | Solute carrier organic anion transporter family member 1B1 |
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| Synonyms: | LST1 | OATP1B1 | OATP2 | OATPC | SLC21A6 | SLCO1B1 | SO1B1_HUMAN | Solute carrier organic anion transporter family member 1B1 | Solute carrier organic anion transporter family member 1B1 (OATP1B1) | Thromboxane B2 |
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| Type: | Protein |
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| Mol. Mass.: | 76468.06 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9Y6L6 |
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| Residue: | 691 |
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| Sequence: | MDQNQHLNKTAEAQPSENKKTRYCNGLKMFLAALSLSFIAKTLGAIIMKSSIIHIERRFE
ISSSLVGFIDGSFEIGNLLVIVFVSYFGSKLHRPKLIGIGCFIMGIGGVLTALPHFFMGY
YRYSKETNINSSENSTSTLSTCLINQILSLNRASPEIVGKGCLKESGSYMWIYVFMGNML
RGIGETPIVPLGLSYIDDFAKEGHSSLYLGILNAIAMIGPIIGFTLGSLFSKMYVDIGYV
DLSTIRITPTDSRWVGAWWLNFLVSGLFSIISSIPFFFLPQTPNKPQKERKASLSLHVLE
TNDEKDQTANLTNQGKNITKNVTGFFQSFKSILTNPLYVMFVLLTLLQVSSYIGAFTYVF
KYVEQQYGQPSSKANILLGVITIPIFASGMFLGGYIIKKFKLNTVGIAKFSCFTAVMSLS
FYLLYFFILCENKSVAGLTMTYDGNNPVTSHRDVPLSYCNSDCNCDESQWEPVCGNNGIT
YISPCLAGCKSSSGNKKPIVFYNCSCLEVTGLQNRNYSAHLGECPRDDACTRKFYFFVAI
QVLNLFFSALGGTSHVMLIVKIVQPELKSLALGFHSMVIRALGGILAPIYFGALIDTTCI
KWSTNNCGTRGSCRTYNSTSFSRVYLGLSSMLRVSSLVLYIILIYAMKKKYQEKDINASE
NGSVMDEANLESLNKNKHFVPSAGADSETHC
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| BDBM50139181 |
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| n/a |
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| Name | BDBM50139181 |
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| Synonyms: | (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate | 2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one | MK-733 | SIMVASTATIN LACTONE | Simvastatin | Zocor | cid_54454 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H38O5 |
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| Mol. Mass. | 418.5662 |
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| SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12| |
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| Structure | 
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