Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50044793   

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 (Homo sapiens (Human))	BDBM50321276 (4,5-Dimethoxy-2-propylphenol | CHEMBL1163691) Show SMILES CCCc1cc(OC)c(OC)cc1O Show InChI InChI=1S/C11H16O3/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h6-7,12H,4-5H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional (IPN) Curated by ChEMBL					Assay Description Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometrically				Bioorg Med Chem 22: 5871-82 (2014) Article DOI: 10.1016/j.bmc.2014.09.022 BindingDB Entry DOI: 10.7270/Q2833TM8
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50030652 (CHEMBL3344536) Show SMILES CCC(=O)c1cc(OC)c(OC)cc1O Show InChI InChI=1S/C11H14O4/c1-4-8(12)7-5-10(14-2)11(15-3)6-9(7)13/h5-6,13H,4H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional (IPN) Curated by ChEMBL					Assay Description Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometrically				Bioorg Med Chem 22: 5871-82 (2014) Article DOI: 10.1016/j.bmc.2014.09.022 BindingDB Entry DOI: 10.7270/Q2833TM8
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50240783 (1,2,4-Trimethoxy-5-propenyl-benzene | 17-(1,5-Dime...) Show SMILES COc1cc(OC)c(\C=C\C)cc1OC Show InChI InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional (IPN) Curated by ChEMBL					Assay Description Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometrically				Bioorg Med Chem 22: 5871-82 (2014) Article DOI: 10.1016/j.bmc.2014.09.022 BindingDB Entry DOI: 10.7270/Q2833TM8
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50139181 ((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...) Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12| Show InChI InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional (IPN) Curated by ChEMBL					Assay Description Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometrically				Bioorg Med Chem 22: 5871-82 (2014) Article DOI: 10.1016/j.bmc.2014.09.022 BindingDB Entry DOI: 10.7270/Q2833TM8
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50321274 (CHEMBL1163189 | Methyl 2-(5-hydroxy-2-methoxy-4-pr...) Show SMILES CCCc1cc(OC)c(OCC(=O)OC)cc1O Show InChI InChI=1S/C13H18O5/c1-4-5-9-6-11(16-2)12(7-10(9)14)18-8-13(15)17-3/h6-7,14H,4-5,8H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional (IPN) Curated by ChEMBL					Assay Description Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometrically				Bioorg Med Chem 22: 5871-82 (2014) Article DOI: 10.1016/j.bmc.2014.09.022 BindingDB Entry DOI: 10.7270/Q2833TM8
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50030656 (CHEMBL3344540) Show SMILES CCCC(=O)c1cc(OC)c(OCC(=O)OC)cc1O Show InChI InChI=1S/C14H18O6/c1-4-5-10(15)9-6-12(18-2)13(7-11(9)16)20-8-14(17)19-3/h6-7,16H,4-5,8H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional (IPN) Curated by ChEMBL					Assay Description Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometrically				Bioorg Med Chem 22: 5871-82 (2014) Article DOI: 10.1016/j.bmc.2014.09.022 BindingDB Entry DOI: 10.7270/Q2833TM8
					More data for this Ligand-Target Pair