BDBM50304351 6-methoxy-1-(3-methoxy-prop-1-ynyl)-2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-ol::CHEMBL592963

SMILES: COCC#CC1N(C)CCc2cc(OC)c(O)cc12

InChI Key: InChIKey=BURMEHSWUGTTOX-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50304351   

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
NAD-dependent deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50304351 (6-methoxy-1-(3-methoxy-prop-1-ynyl)-2-methyl-1,2,3...) Show SMILES COCC#CC1N(C)CCc2cc(OC)c(O)cc12 Show InChI InChI=1S/C15H19NO3/c1-16-7-6-11-9-15(19-3)14(17)10-12(11)13(16)5-4-8-18-2/h9-10,13,17H,6-8H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Mixed inhibition of yeast Hst2 using NAD+ substrate				Bioorg Med Chem 17: 7031-41 (2009) Article DOI: 10.1016/j.bmc.2009.07.073 BindingDB Entry DOI: 10.7270/Q21V5FWG
					More data for this Ligand-Target Pair
NAD-dependent deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50304351 (6-methoxy-1-(3-methoxy-prop-1-ynyl)-2-methyl-1,2,3...) Show SMILES COCC#CC1N(C)CCc2cc(OC)c(O)cc12 Show InChI InChI=1S/C15H19NO3/c1-16-7-6-11-9-15(19-3)14(17)10-12(11)13(16)5-4-8-18-2/h9-10,13,17H,6-8H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Noncompetitive inhibition of yeast Hst2 using Acetyl-lysine substrate				Bioorg Med Chem 17: 7031-41 (2009) Article DOI: 10.1016/j.bmc.2009.07.073 BindingDB Entry DOI: 10.7270/Q21V5FWG
					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50304351 (6-methoxy-1-(3-methoxy-prop-1-ynyl)-2-methyl-1,2,3...) Show SMILES COCC#CC1N(C)CCc2cc(OC)c(O)cc12 Show InChI InChI=1S/C15H19NO3/c1-16-7-6-11-9-15(19-3)14(17)10-12(11)13(16)5-4-8-18-2/h9-10,13,17H,6-8H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assay				Bioorg Med Chem 17: 7031-41 (2009) Article DOI: 10.1016/j.bmc.2009.07.073 BindingDB Entry DOI: 10.7270/Q21V5FWG
					More data for this Ligand-Target Pair
NAD-dependent deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50304351 (6-methoxy-1-(3-methoxy-prop-1-ynyl)-2-methyl-1,2,3...) Show SMILES COCC#CC1N(C)CCc2cc(OC)c(O)cc12 Show InChI InChI=1S/C15H19NO3/c1-16-7-6-11-9-15(19-3)14(17)10-12(11)13(16)5-4-8-18-2/h9-10,13,17H,6-8H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of yeast Hst2 by fluorimetric assay				Bioorg Med Chem 17: 7031-41 (2009) Article DOI: 10.1016/j.bmc.2009.07.073 BindingDB Entry DOI: 10.7270/Q21V5FWG
					More data for this Ligand-Target Pair