BDBM9031 1H-Indole-3-carboxylic Acid [5-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]amide::Indole-Tacrine Heterodimer 14::N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}-1H-indole-3-carboxamide

SMILES: Clc1ccc2c(NCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1

InChI Key: InChIKey=WRZLBZPGOSUCKT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 9031   

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
Acetylcholinesterase (Bos taurus (bovine))	BDBM9031 (1H-Indole-3-carboxylic Acid [5-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C27H29ClN4O/c28-18-12-13-21-25(16-18)32-24-11-5-3-9-20(24)26(21)29-14-6-1-7-15-30-27(33)22-17-31-23-10-4-2-8-19(22)23/h2,4,8,10,12-13,16-17,31H,1,3,5-7,9,11,14-15H2,(H,29,32)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9031 (1H-Indole-3-carboxylic Acid [5-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C27H29ClN4O/c28-18-12-13-21-25(16-18)32-24-11-5-3-9-20(24)26(21)29-14-6-1-7-15-30-27(33)22-17-31-23-10-4-2-8-19(22)23/h2,4,8,10,12-13,16-17,31H,1,3,5-7,9,11,14-15H2,(H,29,32)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM9031 (1H-Indole-3-carboxylic Acid [5-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C27H29ClN4O/c28-18-12-13-21-25(16-18)32-24-11-5-3-9-20(24)26(21)29-14-6-1-7-15-30-27(33)22-17-31-23-10-4-2-8-19(22)23/h2,4,8,10,12-13,16-17,31H,1,3,5-7,9,11,14-15H2,(H,29,32)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair