BDBM22147 (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(1,2-oxazol-3-ylamino)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid::(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(isoxazol-3-ylamino)-6-(1-methylethyl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid::isoxazole compound, 9a

SMILES: CC(C)c1nc(Nc2ccon2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O

InChI Key: InChIKey=KTZCMSGWDSHEMY-NXVGNOFTSA-N

Data: 1 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 1 hit for monomerid = 22147   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM22147 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(1,2-oxazol-3-y...) Show SMILES CC(C)c1nc(Nc2ccon2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C23H25FN4O5/c1-13(2)21-18(8-7-16(29)11-17(30)12-20(31)32)22(14-3-5-15(24)6-4-14)27-23(26-21)25-19-9-10-33-28-19/h3-10,13,16-17,29-30H,11-12H2,1-2H3,(H,31,32)(H,25,26,27,28)/b8-7+/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	1.40	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair