BDBM9059 Homodimeric Tacrine Analog 4a::N,N-Bis-(2,3,4,5-tetrahydro-1H-cyclohepta[1,2,-b]quinolin-10-yl)-1,6-diaminohexane::N-(6-{6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11-ylamino}hexyl)-6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11-amine

SMILES: C(CCCNc1c2CCCCCc2nc2ccccc12)CCNc1c2CCCCCc2nc2ccccc12

InChI Key: InChIKey=SDPGWLDAXDUDLE-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 2 hits for monomerid = 9059   

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
Cholinesterases (Homo sapiens (Human))	BDBM9059 (Homodimeric Tacrine Analog 4a | N,N-Bis-(2,3,4,5-t...) Show SMILES C(CCCNc1c2CCCCCc2nc2ccccc12)CCNc1c2CCCCCc2nc2ccccc12 Show InChI InChI=1S/C34H42N4/c1(13-23-35-33-25-15-5-3-7-19-29(25)37-31-21-11-9-17-27(31)33)2-14-24-36-34-26-16-6-4-8-20-30(26)38-32-22-12-10-18-28(32)34/h9-12,17-18,21-22H,1-8,13-16,19-20,23-24H2,(H,35,37)(H,36,38)	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	3.30	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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM9059 (Homodimeric Tacrine Analog 4a | N,N-Bis-(2,3,4,5-t...) Show SMILES C(CCCNc1c2CCCCCc2nc2ccccc12)CCNc1c2CCCCCc2nc2ccccc12 Show InChI InChI=1S/C34H42N4/c1(13-23-35-33-25-15-5-3-7-19-29(25)37-31-21-11-9-17-27(31)33)2-14-24-36-34-26-16-6-4-8-20-30(26)38-32-22-12-10-18-28(32)34/h9-12,17-18,21-22H,1-8,13-16,19-20,23-24H2,(H,35,37)(H,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	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