BDBM9046 Homodimeric Tacrine Analog 2c::N,N-Bis-(2,3-dihydro-1H-cyclopenta[1,2-b]quinolin-8-yl)-1,8-diaminooctane::N-(8-{1H,2H,3H-cyclopenta[b]quinolin-9-ylamino}octyl)-1H,2H,3H-cyclopenta[b]quinolin-9-amine

SMILES: C(CCCCNc1c2CCCc2nc2ccccc12)CCCNc1c2CCCc2nc2ccccc12

InChI Key: InChIKey=KBQNIGWBLLTLRQ-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 = 9046   

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 (Rattus norvegicus (rat))	BDBM9046 (Homodimeric Tacrine Analog 2c | N,N-Bis-(2,3-dihyd...) Show SMILES C(CCCCNc1c2CCCc2nc2ccccc12)CCCNc1c2CCCc2nc2ccccc12 Show InChI InChI=1S/C32H38N4/c1(3-9-21-33-31-23-13-5-7-17-27(23)35-29-19-11-15-25(29)31)2-4-10-22-34-32-24-14-6-8-18-28(24)36-30-20-12-16-26(30)32/h5-8,13-14,17-18H,1-4,9-12,15-16,19-22H2,(H,33,35)(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	37
National Defense Medical Center					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 45: 2277-82 (2002) Article DOI: 10.1021/jm010308g BindingDB Entry DOI: 10.7270/Q2KW5D89
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9046 (Homodimeric Tacrine Analog 2c | N,N-Bis-(2,3-dihyd...) Show SMILES C(CCCCNc1c2CCCc2nc2ccccc12)CCCNc1c2CCCc2nc2ccccc12 Show InChI InChI=1S/C32H38N4/c1(3-9-21-33-31-23-13-5-7-17-27(23)35-29-19-11-15-25(29)31)2-4-10-22-34-32-24-14-6-8-18-28(24)36-30-20-12-16-26(30)32/h5-8,13-14,17-18H,1-4,9-12,15-16,19-22H2,(H,33,35)(H,34,36)	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	22	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))	BDBM9046 (Homodimeric Tacrine Analog 2c | N,N-Bis-(2,3-dihyd...) Show SMILES C(CCCCNc1c2CCCc2nc2ccccc12)CCCNc1c2CCCc2nc2ccccc12 Show InChI InChI=1S/C32H38N4/c1(3-9-21-33-31-23-13-5-7-17-27(23)35-29-19-11-15-25(29)31)2-4-10-22-34-32-24-14-6-8-18-28(24)36-30-20-12-16-26(30)32/h5-8,13-14,17-18H,1-4,9-12,15-16,19-22H2,(H,33,35)(H,34,36)	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	165	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 45: 2277-82 (2002) Article DOI: 10.1021/jm010308g BindingDB Entry DOI: 10.7270/Q2KW5D89
					More data for this Ligand-Target Pair