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-UHFFFAOYSA-N

Data: 8 KI  32 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50139181   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Solute carrier organic anion transporter family member 1B1 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Fission yeast)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cytochrome P450 2C8 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cytochrome P450 3A4 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cytochrome P450 2D6 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cytochrome P450 2C19 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cytochrome P450 2C9 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2 (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rat)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholinesterase (Horse)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholinesterase (Horse)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electric eel)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electric eel)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Rat)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Human)	BDBM50139181 (2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(...) Show SMILES Show InChI	GoogleScholar	UniChem		6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair