null

SMILES: CCN(CCCCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1OC

InChI Key: InChIKey=JZYHWZHQIZWTRL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50361662   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50361662 (CHEMBL1940612) Show SMILES CCN(CCCCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1OC |w:9.9| Show InChI InChI=1S/C26H32N2O3/c1-3-28(19-20-12-6-9-15-25(20)31-2)17-11-5-4-10-16-27-23-18-24(29)21-13-7-8-14-22(21)26(23)30/h6-9,12-16,18,29-30H,3-5,10-11,17,19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 expressed in baculovirus system using M-2420 as substrate preincubated for 1 hr before substrate addition measured af...				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50361662 (CHEMBL1940612) Show SMILES CCN(CCCCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1OC |w:9.9| Show InChI InChI=1S/C26H32N2O3/c1-3-28(19-20-12-6-9-15-25(20)31-2)17-11-5-4-10-16-27-23-18-24(29)21-13-7-8-14-22(21)26(23)30/h6-9,12-16,18,29-30H,3-5,10-11,17,19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 expressed in baculovirus system using panvera peptide as substrate after 60 mins by spectrofluorometric analysis				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50361662 (CHEMBL1940612) Show SMILES CCN(CCCCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1OC |w:9.9| Show InChI InChI=1S/C26H32N2O3/c1-3-28(19-20-12-6-9-15-25(20)31-2)17-11-5-4-10-16-27-23-18-24(29)21-13-7-8-14-22(21)26(23)30/h6-9,12-16,18,29-30H,3-5,10-11,17,19H2,1-2H3	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	9.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate after 20 mins preincubation by Ellman method				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50361662 (CHEMBL1940612) Show SMILES CCN(CCCCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1OC |w:9.9| Show InChI InChI=1S/C26H32N2O3/c1-3-28(19-20-12-6-9-15-25(20)31-2)17-11-5-4-10-16-27-23-18-24(29)21-13-7-8-14-22(21)26(23)30/h6-9,12-16,18,29-30H,3-5,10-11,17,19H2,1-2H3	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	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE using butyrylthiocholine iodide as substrate after 20 mins preincubation by Ellman method				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50361662 (CHEMBL1940612) Show SMILES CCN(CCCCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1OC |w:9.9| Show InChI InChI=1S/C26H32N2O3/c1-3-28(19-20-12-6-9-15-25(20)31-2)17-11-5-4-10-16-27-23-18-24(29)21-13-7-8-14-22(21)26(23)30/h6-9,12-16,18,29-30H,3-5,10-11,17,19H2,1-2H3	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	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE-induced amyloid beta (1-40) aggregation assessed as fibril formation after 24 hrs by thioflavin T-based fluorome...				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
					More data for this Ligand-Target Pair