BDBM9044 Homodimeric Tacrine Analog 2a::N,N-Bis-(2,3-dihydro-1H-cyclopenta[1,2-b]quinolin-8-yl)-1,6-diaminohexane::N-(6-{1H,2H,3H-cyclopenta[b]quinolin-9-ylamino}hexyl)-1H,2H,3H-cyclopenta[b]quinolin-9-amine

SMILES: C(CCCNc1c2CCCc2nc2ccccc12)CCNc1c2CCCc2nc2ccccc12

InChI Key: InChIKey=OTTDOZLQGARJRG-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 = 9044   

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))	BDBM9044 (Homodimeric Tacrine Analog 2a | N,N-Bis-(2,3-dihyd...) Show SMILES C(CCCNc1c2CCCc2nc2ccccc12)CCNc1c2CCCc2nc2ccccc12 Show InChI InChI=1S/C30H34N4/c1(7-19-31-29-21-11-3-5-15-25(21)33-27-17-9-13-23(27)29)2-8-20-32-30-22-12-4-6-16-26(22)34-28-18-10-14-24(28)30/h3-6,11-12,15-16H,1-2,7-10,13-14,17-20H2,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	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))	BDBM9044 (Homodimeric Tacrine Analog 2a | N,N-Bis-(2,3-dihyd...) Show SMILES C(CCCNc1c2CCCc2nc2ccccc12)CCNc1c2CCCc2nc2ccccc12 Show InChI InChI=1S/C30H34N4/c1(7-19-31-29-21-11-3-5-15-25(21)33-27-17-9-13-23(27)29)2-8-20-32-30-22-12-4-6-16-26(22)34-28-18-10-14-24(28)30/h3-6,11-12,15-16H,1-2,7-10,13-14,17-20H2,(H,31,33)(H,32,34)	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	115	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))	BDBM9044 (Homodimeric Tacrine Analog 2a | N,N-Bis-(2,3-dihyd...) Show SMILES C(CCCNc1c2CCCc2nc2ccccc12)CCNc1c2CCCc2nc2ccccc12 Show InChI InChI=1S/C30H34N4/c1(7-19-31-29-21-11-3-5-15-25(21)33-27-17-9-13-23(27)29)2-8-20-32-30-22-12-4-6-16-26(22)34-28-18-10-14-24(28)30/h3-6,11-12,15-16H,1-2,7-10,13-14,17-20H2,(H,31,33)(H,32,34)	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	273	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