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 = 'BDBM50280349'   

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))	BDBM50280349 (2,2-Dimethyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...) Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@H](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\Cc1ccccc1 |c:13| Show InChI InChI=1S/C33H46O5/c1-5-33(3,4)32(36)38-29-19-24(13-9-12-23-10-7-6-8-11-23)18-25-15-14-22(2)28(31(25)29)17-16-27-20-26(34)21-30(35)37-27/h6-11,13-15,22,24-29,31,34H,5,12,16-21H2,1-4H3/b13-9+/t22-,24-,25-,26+,27+,28-,29-,31-/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	20	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