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 41 hits for monomerid = 50139181
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Affinity DataKi: 2.60nMAssay Description:Inhibitory constant against HMG-CoA reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 750nMAssay Description:Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
Affinity DataKi: 750nMAssay Description:Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
Affinity DataKi: 1.80E+3nMAssay Description:Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
Affinity DataKi: 1.80E+3nMAssay Description:Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Affinity DataKi: 6.80E+4nMAssay Description:Inhibitory constant against HMG-CoA reductase with alpha asaroneMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by ChEMBL
Bristol-Myers Squibb
Curated by ChEMBL
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using pitavastatin substrateMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by ChEMBL
Bristol-Myers Squibb
Curated by ChEMBL
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estrone-3-sulfate substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Affinity DataIC50: 49nMAssay Description:Inhibition of HMGCoA reductaseMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Affinity DataIC50: 49nMAssay Description:Inhibition of HMG-CoA reductaseMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Affinity DataIC50: 11nMAssay Description:Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductaseMore 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
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))
Bristol-Myers Squibb
Curated by ChEMBL
Bristol-Myers Squibb
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: 2.61E+4nMAssay Description:TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 5.68E+4nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 4.60E+4nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 transport in 3T3-G185 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 9.00E+3nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubucin transport in 3T3-G185 cellsMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Schizosaccharomyces pombe)
Instituto Polit£Cnico Nacional (Ipn)
Curated by ChEMBL
Instituto Polit£Cnico Nacional (Ipn)
Curated by ChEMBL
Affinity DataIC50: 9.52E+4nMAssay Description:Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometryMore data for this Ligand-Target Pair
Affinity DataIC50: 2.47E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: 2.47E+4nMAssay Description:Binding affinity towards nicotinic acetylcholine receptor (nACh) using [3H](-)-nicotine as radioligand in rat brainMore data for this Ligand-Target Pair
Affinity DataIC50: <1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: 2.47E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Affinity DataIC50: 0.900nMAssay Description:Inhibition of HMG-CoA reductase (unknown origin) using [14C]-HMG-CoA as substrate after 5 mins in presence of NADPHMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Affinity DataIC50: 40nMAssay Description:Inhibition of human HMG-CoA reductase after 30 minsMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Affinity DataIC50: 6.11E+3nMAssay Description:Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometricallyMore data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Southern Research Institute
Curated by PubChem BioAssay
Southern Research Institute
Curated by PubChem BioAssay
TargetNuclear receptor subfamily 4 group A member 2(Homo sapiens (Human))
Goethe University Frankfurt
Curated by ChEMBL
Goethe University Frankfurt
Curated by ChEMBL
Affinity DataEC50: 5.10E+3nMAssay Description:Agonist activity at human Nurr1 measured by Gal4-Nurr1 hybrid reporter gene assayMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Universidad Nacional AutóNoma De MéXico
Curated by ChEMBL
Affinity DataIC50: 11.2nMAssay Description:Inhibitory concentration against HMG-CoA reductaseMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by ChEMBL
Bristol-Myers Squibb
Curated by ChEMBL
Affinity DataIC50: 4.40E+3nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estradiol-17beta-glucuronide substrateMore data for this Ligand-Target Pair