BindingDB PrimarySearch

BDBM50292332 2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium; chloride::2,3,9,10-tetramethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium::CHEMBL1270849::CHEMBL2163795::CHEMBL274189::GNF-Pf-4086::PALMATINE

SMILES: COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC

InChI Key: InChIKey=QUCQEUCGKKTEBI-UHFFFAOYSA-N

Data: 11 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50292332
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
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of recombinant Influenza A virus H1N1 neuraminidase using 4-methylumbelliferyl-alpha-D-Nacetylneuraminic acid sodium salt hydrate as subst...				Bioorg Med Chem 22: 6047-52 (2014) Article DOI: 10.1016/j.bmc.2014.09.004 BindingDB Entry DOI: 10.7270/Q269755J
Chungnam National University Curated by ChEMBL					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H5N1 neuraminidase using 4-methylumbelliferyl-alpha-D-Nacetylneuraminic acid sodium salt hydrate as substrate by fluo...				Bioorg Med Chem 22: 6047-52 (2014) Article DOI: 10.1016/j.bmc.2014.09.004 BindingDB Entry DOI: 10.7270/Q269755J
Chungnam National University Curated by ChEMBL					More data for this Ligand-Target Pair
Genome polyprotein (West Nile virus)	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Non-competitive inhibition of West Nile virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
University of KwaZulu-Natal Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
National Cheng Kung University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli assessed as inhibition of nifedipine oxidation				J Nat Prod 70: 1930-3 (2007) Article DOI: 10.1021/np0704248 BindingDB Entry DOI: 10.7270/Q2JH3KX1
National Cheng Kung University Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellman's method				Bioorg Med Chem 20: 6669-79 (2012) Article DOI: 10.1016/j.bmc.2012.09.040 BindingDB Entry DOI: 10.7270/Q2ZG6TBT
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by Ellman's method				J Nat Prod 82: 239-248 (2019) Article DOI: 10.1021/acs.jnatprod.8b00592
Charles University Curated by ChEMBL					More data for this Ligand-Target Pair
Snake venom metalloproteinase Bap1 (Bothrops asper)	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...				ACS Med Chem Lett 3: 540-543 (2012) Article DOI: 10.1021/ml300068r BindingDB Entry DOI: 10.7270/Q2542PVS
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				J Nat Prod (2010) Article DOI: 10.1021/np100247r BindingDB Entry DOI: 10.7270/Q2HH6M22
National Taiwan University Curated by ChEMBL					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of POP (unknown origin) using (Z)-Gly-Pro-p-nitroanilide as substrate preincubated for 5 mins followed by substrate addition and measured ...				J Nat Prod 82: 239-248 (2019) Article DOI: 10.1021/acs.jnatprod.8b00592
Charles University Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by Ellman's method				J Nat Prod 82: 239-248 (2019) Article DOI: 10.1021/acs.jnatprod.8b00592
Charles University Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292332 (2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 20: 6669-79 (2012) Article DOI: 10.1016/j.bmc.2012.09.040 BindingDB Entry DOI: 10.7270/Q2ZG6TBT
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair