BDBM50322770 7-{[7-(1,2,3,4-Tetrahydroacridin-9-ylamino)heptylamino]methyl}-quinolin-8-ol Dihydrochloride::CHEMBL1173761

SMILES: Oc1c(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12

InChI Key: InChIKey=UNCVWUOMIWFTQP-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50322770   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50322770 (7-{[7-(1,2,3,4-Tetrahydroacridin-9-ylamino)heptyla...) Show SMILES Oc1c(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12 Show InChI InChI=1S/C30H36N4O/c35-30-23(17-16-22-11-10-20-32-28(22)30)21-31-18-8-2-1-3-9-19-33-29-24-12-4-6-14-26(24)34-27-15-7-5-13-25(27)29/h4,6,10-12,14,16-17,20,31,35H,1-3,5,7-9,13,15,18-19,21H2,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica Curated by ChEMBL					Assay Description Inhibition of horse serum BChE by Ellman's reaction				J Med Chem 53: 4927-37 (2010) Article DOI: 10.1021/jm100329q BindingDB Entry DOI: 10.7270/Q22Z15QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50322770 (7-{[7-(1,2,3,4-Tetrahydroacridin-9-ylamino)heptyla...) Show SMILES Oc1c(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12 Show InChI InChI=1S/C30H36N4O/c35-30-23(17-16-22-11-10-20-32-28(22)30)21-31-18-8-2-1-3-9-19-33-29-24-12-4-6-14-26(24)34-27-15-7-5-13-25(27)29/h4,6,10-12,14,16-17,20,31,35H,1-3,5,7-9,13,15,18-19,21H2,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's reaction				J Med Chem 53: 4927-37 (2010) Article DOI: 10.1021/jm100329q BindingDB Entry DOI: 10.7270/Q22Z15QR
					More data for this Ligand-Target Pair