Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 459.5 BDBM50007287

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))	BDBM50007287 (CHEMBL317726 | Sodium; 6-{2-cyclopentyl-6-[3-(4-fl...) Show SMILES OC(COc1c(CCCOc2ccc(F)cc2)cccc1C1CCCC1)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C26H33FO6/c27-20-10-12-23(13-11-20)32-14-4-8-19-7-3-9-24(18-5-1-2-6-18)26(19)33-17-22(29)15-21(28)16-25(30)31/h3,7,9-13,18,21-22,28-29H,1-2,4-6,8,14-17H2,(H,30,31)/p-1/t21-,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase in solubilized rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair