Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM50226171'   

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 (Mesocricetus auratus)	BDBM50226171 (CHEMBL259240 | IAVE) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C19H34N4O7/c1-6-10(4)14(20)17(27)21-11(5)16(26)23-15(9(2)3)18(28)22-12(19(29)30)7-8-13(24)25/h9-12,14-15H,6-8,20H2,1-5H3,(H,21,27)(H,22,28)(H,23,26)(H,24,25)(H,29,30)/t10-,11-,12-,14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Food Research Institute Curated by ChEMBL					Assay Description Inhibition of Syrian hamster HMGR				Bioorg Med Chem 16: 1309-18 (2008) Article DOI: 10.1016/j.bmc.2007.10.064 BindingDB Entry DOI: 10.7270/Q28P61D2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50226171 (CHEMBL259240 | IAVE) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C19H34N4O7/c1-6-10(4)14(20)17(27)21-11(5)16(26)23-15(9(2)3)18(28)22-12(19(29)30)7-8-13(24)25/h9-12,14-15H,6-8,20H2,1-5H3,(H,21,27)(H,22,28)(H,23,26)(H,24,25)(H,29,30)/t10-,11-,12-,14-,15-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of the Chemistry of Plant Substances Curated by ChEMBL					Assay Description Inhibition of HMG-CoA reductase by spectrophotometry				Bioorg Med Chem 18: 4300-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.090 BindingDB Entry DOI: 10.7270/Q2VM4CFG
					More data for this Ligand-Target Pair