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 = 'BDBM18399'   

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))	BDBM18399 ((3R,5S)-6-[(3-{[(4-chlorophenyl)methyl]carbamoyl}-...) Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(Cl)cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H29ClFN3O6/c1-15(2)23-24(25(36)29-13-16-3-5-17(27)6-4-16)30-31(19-9-7-18(28)8-10-19)26(23)37-14-21(33)11-20(32)12-22(34)35/h3-10,15,20-21,32-33H,11-14H2,1-2H3,(H,29,36)(H,34,35)/t20-,21+/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	6.70	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 Lett 17: 5567-72 (2007) Article DOI: 10.1016/j.bmcl.2007.08.004 BindingDB Entry DOI: 10.7270/Q2ZS2TS7
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