BDBM18375 (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid::Simvastatin::Simvastatin acid

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

InChI Key: InChIKey=XWLXKKNPFMNSFA-UHFFFAOYSA-N

Data: 2 KI  3 IC50  1 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 5 hits for monomerid = 18375   

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)	BDBM18375 (Simvastatin acid | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	7.2	37
TBA									Citation and Details
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3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rat)	BDBM18375 (Simvastatin acid | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30	n/a	6.20	n/a	n/a	7.0	37
TBA									Citation and Details
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Solute carrier organic anion transporter family member 1B1 (Human)	BDBM18375 (Simvastatin acid | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Bile salt export pump (Human)	BDBM18375 (Simvastatin acid | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-...) 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)	BDBM18375 (Simvastatin acid | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-...) 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