BDBM9029 Indole-Tacrine Heterodimer 12::N-[6-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-hexyl]-3-(5-cyano-1H-indol-3-yl)propionamide::N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-3-(5-cyano-1H-indol-3-yl)propanamide

SMILES: Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1

InChI Key: InChIKey=PBSOJOMZHQNAPL-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 = 9029   

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))	BDBM9029 (Indole-Tacrine Heterodimer 12 | N-[6-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H34ClN5O/c32-23-11-12-25-29(18-23)37-28-8-4-3-7-24(28)31(25)35-16-6-2-1-5-15-34-30(38)14-10-22-20-36-27-13-9-21(19-33)17-26(22)27/h9,11-13,17-18,20,36H,1-8,10,14-16H2,(H,34,38)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	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))	BDBM9029 (Indole-Tacrine Heterodimer 12 | N-[6-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H34ClN5O/c32-23-11-12-25-29(18-23)37-28-8-4-3-7-24(28)31(25)35-16-6-2-1-5-15-34-30(38)14-10-22-20-36-27-13-9-21(19-33)17-26(22)27/h9,11-13,17-18,20,36H,1-8,10,14-16H2,(H,34,38)(H,35,37)	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	0.700	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))	BDBM9029 (Indole-Tacrine Heterodimer 12 | N-[6-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H34ClN5O/c32-23-11-12-25-29(18-23)37-28-8-4-3-7-24(28)31(25)35-16-6-2-1-5-15-34-30(38)14-10-22-20-36-27-13-9-21(19-33)17-26(22)27/h9,11-13,17-18,20,36H,1-8,10,14-16H2,(H,34,38)(H,35,37)	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	11.7	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