BDBM18372 (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid::CHEMBL1496::Ros::Rosuvastatin::US9102656, Rosuvastatin ::ZD4522

SMILES: CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O

InChI Key: InChIKey=BPRHUIZQVSMCRT-UHFFFAOYSA-N

Data: 4 KI  10 IC50  1 Kd  2 EC50  1 ITC

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 15 hits for monomerid = 18372   

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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60	n/a	n/a	n/a	n/a	7.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rat)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10	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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	n/a	0.300	n/a	n/a	7.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rat)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	n/a	0.600	n/a	n/a	7.0	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Human)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.40	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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70	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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Human)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.25E+3	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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		0.900	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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) 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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) 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)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...) Show SMILES Show InChI	GoogleScholar	UniChem		7.10E+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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 18372

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (Human)	BDBM18372 (CHEMBL1496 | Ros | (3R,5S,6E)-7-[4-(4-fluorophenyl...)	GoogleScholar			-10.8	2.40	-13.2	7.77	7.20	30
TBA					Details of this binding reaction