BDBM20696 Tertiary Amide Analog, 39::sodium (3R,5R)-7-{3-[benzyl(methyl)carbamoyl]-1-(4-fluorophenyl)-4-(propan-2-yl)-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoate

SMILES: CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1

InChI Key: InChIKey=NKXSDKKNJJYOFA-DHIUTWEWSA-M

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 = 20696   

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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM20696 (Tertiary Amide Analog, 39 | sodium (3R,5R)-7-{3-[b...) Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H34FN3O5/c1-18(2)26-24(14-13-22(33)15-23(34)16-25(35)36)32(21-11-9-20(29)10-12-21)30-27(26)28(37)31(3)17-19-7-5-4-6-8-19/h4-12,18,22-23,33-34H,13-17H2,1-3H3,(H,35,36)/p-1/t22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	0.200	n/a	n/a	7.2	37
Pfizer					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: 31-45 (2008) Article DOI: 10.1021/jm070849r BindingDB Entry DOI: 10.7270/Q2VD6WRD
					More data for this Ligand-Target Pair