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 = 'BDBM50280356'   

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))	BDBM50280356 (2,2-Dimethyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...) Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@](C)(C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)\C=C\C |c:14| Show InChI InChI=1S/C28H44O5/c1-7-13-28(6)16-19-10-9-18(3)22(12-11-21-14-20(29)15-24(30)32-21)25(19)23(17-28)33-26(31)27(4,5)8-2/h7,9-10,13,18-23,25,29H,8,11-12,14-17H2,1-6H3/b13-7+/t18-,19-,20+,21+,22-,23-,25-,28-/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	5	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