BDBM50240783 1,2,4-Trimethoxy-5-propenyl-benzene::17-(1,5-Dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; compound with 1,2,4-trimethoxy-5-propenyl-benzene (Alphaasarone and cholesterol)::CHEMBL333306::alpha-Asarone::trans-asarone

SMILES: COc1cc(OC)c(\C=C\C)cc1OC

InChI Key: InChIKey=RKFAZBXYICVSKP-AATRIKPKSA-N

Data: 4 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 4 hits for monomerid = 50240783   

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))	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 UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Cytochrome P450 2D6 (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 UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human liver microsome CYP2D6 in assessed as [14C]formaldehyde formation				J Nat Prod 68: 64-8 (2005) Article DOI: 10.1021/np0401765 BindingDB Entry DOI: 10.7270/Q26M37Q4
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Schizosaccharomyces pombe)	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+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.49E+6	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional (IPN) Curated by ChEMBL					Assay Description Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometry				Bioorg Med Chem 18: 4238-48 (2010) Article DOI: 10.1016/j.bmc.2010.04.096 BindingDB Entry DOI: 10.7270/Q2KW5H0Z
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (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 UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	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