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 = 'BDBM50280352'   

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))	BDBM50280352 ((S)-2-Methyl-butyric acid (1S,3S,4aR,7S,8S,8aS)-8-...) Show SMILES CCC\C(C)=C\[C@@H]1C[C@H](OC(=O)[C@@H](C)CC)[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1 |c:20| Show InChI InChI=1S/C29H46O5/c1-6-8-18(3)13-21-14-22-10-9-20(5)25(12-11-24-16-23(30)17-27(31)33-24)28(22)26(15-21)34-29(32)19(4)7-2/h9-10,13,19-26,28,30H,6-8,11-12,14-17H2,1-5H3/b18-13+/t19-,20-,21-,22-,23+,24+,25-,26-,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	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