BDBM9027 3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino}propyl)propanamide::Indole-Tacrine Heterodimer 10::N-(3-{[3-(1,2,3,4-Tetrahydroacridin-9-ylamino)propyl]-methylamino}propyl)-3-(1H-indol-3-yl)propionamide

SMILES: CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=YIFIESCJSCAHBP-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 = 9027   

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))	BDBM9027 (3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahyd...) Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H39N5O/c1-36(20-8-18-32-30(37)17-16-23-22-34-27-13-5-2-10-24(23)27)21-9-19-33-31-25-11-3-6-14-28(25)35-29-15-7-4-12-26(29)31/h2-3,5-6,10-11,13-14,22,34H,4,7-9,12,15-21H2,1H3,(H,32,37)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	147	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))	BDBM9027 (3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahyd...) Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H39N5O/c1-36(20-8-18-32-30(37)17-16-23-22-34-27-13-5-2-10-24(23)27)21-9-19-33-31-25-11-3-6-14-28(25)35-29-15-7-4-12-26(29)31/h2-3,5-6,10-11,13-14,22,34H,4,7-9,12,15-21H2,1H3,(H,32,37)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	147	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))	BDBM9027 (3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahyd...) Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H39N5O/c1-36(20-8-18-32-30(37)17-16-23-22-34-27-13-5-2-10-24(23)27)21-9-19-33-31-25-11-3-6-14-28(25)35-29-15-7-4-12-26(29)31/h2-3,5-6,10-11,13-14,22,34H,4,7-9,12,15-21H2,1H3,(H,32,37)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0300	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