Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 452.5 BDBM50042652

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50042652 (7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-pyridin-2-yl-...) Show SMILES COC(=O)C[C@H](O)C[C@H](O)\C=C\n1c(cc(c1-c1ccc(F)cc1)-c1ccccn1)C(C)C Show InChI InChI=1S/C26H29FN2O4/c1-17(2)24-16-22(23-6-4-5-12-28-23)26(18-7-9-19(27)10-8-18)29(24)13-11-20(30)14-21(31)15-25(32)33-3/h4-13,16-17,20-21,30-31H,14-15H2,1-3H3/b13-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibition of rat liver microsomal HMG-CoA reductase				J Med Chem 36: 3658-62 (1994) BindingDB Entry DOI: 10.7270/Q2SJ1JP7
					More data for this Ligand-Target Pair