BDBM50322771 7-{[8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylamino]methyl}-quinolin-8-ol Dihydrochloride::CHEMBL1172817

SMILES: Oc1c(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12

InChI Key: InChIKey=NGLMDAPCUOIPCG-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 = 50322771   

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))	BDBM50322771 (7-{[8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylam...) Show SMILES Oc1c(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12 Show InChI InChI=1S/C31H38N4O/c36-31-24(18-17-23-12-11-21-33-29(23)31)22-32-19-9-3-1-2-4-10-20-34-30-25-13-5-7-15-27(25)35-28-16-8-6-14-26(28)30/h5,7,11-13,15,17-18,21,32,36H,1-4,6,8-10,14,16,19-20,22H2,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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))	BDBM50322771 (7-{[8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylam...) Show SMILES Oc1c(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc2cccnc12 Show InChI InChI=1S/C31H38N4O/c36-31-24(18-17-23-12-11-21-33-29(23)31)22-32-19-9-3-1-2-4-10-20-34-30-25-13-5-7-15-27(25)35-28-16-8-6-14-26(28)30/h5,7,11-13,15,17-18,21,32,36H,1-4,6,8-10,14,16,19-20,22H2,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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