Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM18386'   

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))	BDBM18386 (Alkyl substituted pyrrole compound, 29b | sodium (...) Show SMILES CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)Nc1ccccc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H31FN2O5/c1-3-30-23(14-13-21(31)15-22(32)16-24(33)34)25(18-9-11-19(28)12-10-18)17(2)26(30)27(35)29-20-7-5-4-6-8-20/h4-12,21-22,31-32H,3,13-16H2,1-2H3,(H,29,35)(H,33,34)/p-1/t21-,22-/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	2.80	n/a	n/a	n/a	n/a	7.2	37
Pfizer					Assay Description Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...				Bioorg Med Chem 15: 5576-89 (2007) Article DOI: 10.1016/j.bmc.2007.05.031 BindingDB Entry DOI: 10.7270/Q23J3B7G
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