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 = 'BDBM50280347'   

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))	BDBM50280347 (2-Methyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-[2-(...) Show SMILES CCC(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C(C)C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13| Show InChI InChI=1S/C26H42O5/c1-6-17(5)26(29)31-23-12-16(4)11-18-7-9-21(15(2)3)22(25(18)23)10-8-20-13-19(27)14-24(28)30-20/h7,9,15-23,25,27H,6,8,10-14H2,1-5H3/t16-,17?,18-,19+,20+,21+,22-,23-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of microsomal rat liver HMG-CoA reductase				Bioorg Med Chem Lett 2: 223-228 (1992) Article DOI: 10.1016/S0960-894X(01)81069-6 BindingDB Entry DOI: 10.7270/Q28C9W59
					More data for this Ligand-Target Pair