BDBM50139181 (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
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
InChI Key InChIKey=RYMZZMVNJRMUDD-HGQWONQESA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 50139181
Affinity DataIC50: 1.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of calcein-AM efflux in MDR1-expressing MDCK cellsMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Pfizer
Curated by ChEMBL
Pfizer
Curated by ChEMBL
Affinity DataIC50: 9.70E+3nMAssay Description:TP_TRANSPORTER: inhibition of estradiol-17beta-glucuronide uptake(estradiol-17beta-glucuronide:0.02uM) in OATP1B1-expressing HEK293 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+4nMAssay Description:TP_TRANSPORTER: inhibition of calcein-AM efflux in MRP2-expressing MDCK cellsMore data for this Ligand-Target Pair