BDBM50030656 CHEMBL3344540

SMILES: CCCC(=O)c1cc(OC)c(OCC(=O)OC)cc1O

InChI Key: InChIKey=BJWMMGAKWCDFIJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50030656   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 (HMG-CoA) (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 UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	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 after 30 mins				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 (HMG-CoA) (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 UniProtKB/TrEMBL 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