Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 523.6 BDBM50215702

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 (Homo sapiens (Human))	BDBM50215702 (CHEMBL250500 | sodium (3R,5R)-7-(3-(4-fluorophenyl...) Show SMILES CC(C)NC(=O)c1c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n1C(C)C)-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C30H37FN2O5/c1-18(2)32-30(38)29-28(20-8-6-5-7-9-20)27(21-10-12-22(31)13-11-21)25(33(29)19(3)4)15-14-23(34)16-24(35)17-26(36)37/h5-13,18-19,23-24,34-35H,14-17H2,1-4H3,(H,32,38)(H,36,37)/p-1/t23-,24-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of HMG-CoA reductase				Bioorg Med Chem Lett 17: 4538-44 (2007) Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
					More data for this Ligand-Target Pair