BindingDB PrimarySearch

BDBM50089619 9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,5H-7,10-dioxa-benzo[a]anthracene-1,11-dione::CHEMBL283509

SMILES: COc1ccc(cc1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1

InChI Key: InChIKey=MIHBCQWIBJDVPX-JUDWXZBOSA-N

Data: 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50089619
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50089619 (9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against acyl-CoA:cholesterol acyltransferase (ACAT)				Bioorg Med Chem Lett 10: 1315-6 (2000) BindingDB Entry DOI: 10.7270/Q23B5ZCD
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50089619 (9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase				Bioorg Med Chem Lett 10: 1315-6 (2000) BindingDB Entry DOI: 10.7270/Q23B5ZCD
Kitasato University Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50089619 (9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Alchemical Research, LLC Curated by ChEMBL					Assay Description Inhibition of human AChE				Bioorg Med Chem Lett 25: 4848-53 (2015) BindingDB Entry DOI: 10.7270/Q2668G1T
Alchemical Research, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50089619 (9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE				J Med Chem 61: 2166-2210 (2018) Article DOI: 10.1021/acs.jmedchem.7b00315 BindingDB Entry DOI: 10.7270/Q2B56N68
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50089619 (9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Alchemical Research, LLC Curated by ChEMBL					Assay Description Inhibition of AChE-induced amyloid beta aggregation				Bioorg Med Chem Lett 21: 2687-91 (2011) Article DOI: 10.1016/j.bmcl.2010.12.041 BindingDB Entry DOI: 10.7270/Q27W6CH9
Alchemical Research, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50089619 (9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alchemical Research, LLC Curated by ChEMBL					Assay Description Inhibition of BChE				Bioorg Med Chem Lett 21: 2687-91 (2011) Article DOI: 10.1016/j.bmcl.2010.12.041 BindingDB Entry DOI: 10.7270/Q27W6CH9
Alchemical Research, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50089619 (9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Alchemical Research, LLC Curated by ChEMBL					Assay Description Inhibition of human AChE				Bioorg Med Chem Lett 25: 4848-53 (2015) BindingDB Entry DOI: 10.7270/Q2668G1T
Alchemical Research, LLC Curated by ChEMBL					More data for this Ligand-Target Pair