BDBM50004774 (S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester::(lovastatin)2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester::2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester::2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester(mevinolin)::CHEMBL503

SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12

InChI Key: InChIKey=PCZOHLXUXFIOCF-UHFFFAOYSA-N

Data: 1 KI  13 IC50

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 14 hits for monomerid = 50004774   

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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rat)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	28	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 (Rat)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	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)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0500	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 (Rat)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7	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 (Rat)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Human)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Acyl-CoA:cholesterol acyltransferase (Rabbit)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rat)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) 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 (Rat)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	32	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)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	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 (Mouse)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	27	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 (Rat)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	530	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)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	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)	BDBM50004774 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES Show InChI	GoogleScholar	UniChem		0.600	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