BDBM10593 (9E)-N1-(7-(1,2,3,4-Tetrahydroacridin-9-ylamino)heptyl)-9-ethylidene-4,4,7-trimethylbicyclo[3.3.1]non-6-ene-1,3-diamine::Huperzine A-Tacrine Hybrid 5a::N-(7-{[(1S)-1-amino-9-ethylidene-4,4,7-trimethylbicyclo[3.3.1]non-6-en-3-yl]amino}heptyl)-1,2,3,4-tetrahydroacridin-9-amine

SMILES: CC=C1C2C=C(C)CC1(N)CC(NCCCCCCCNc1c3CCCCc3nc3ccccc13)C2(C)C

InChI Key: InChIKey=VQEZQHKNDTXZIP-FZXKJZBHSA-N

Data: 2 KI

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 = 10593   

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 (Homo sapiens (Human))	BDBM10593 ((9E)-N1-(7-(1,2,3,4-Tetrahydroacridin-9-ylamino)he...) Show SMILES CC=C1C2C=C(C)CC1(N)CC(NCCCCCCCNc1c3CCCCc3nc3ccccc13)C2(C)C |t:4,TLB:1:2:4.5.7:35.10.11,6:5:2:35.10.11,12:11:2:4.5.7| Show InChI InChI=1S/C34H50N4/c1-5-27-28-21-24(2)22-34(27,35)23-31(33(28,3)4)36-19-13-7-6-8-14-20-37-32-25-15-9-11-17-29(25)38-30-18-12-10-16-26(30)32/h5,9,11,15,17,21,28,31,36H,6-8,10,12-14,16,18-20,22-23,35H2,1-4H3,(H,37,38)/b27-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16.5	-10.6	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita di Siena					Assay Description The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...				J Med Chem 49: 3421-5 (2006) Article DOI: 10.1021/jm060257t BindingDB Entry DOI: 10.7270/Q2WW7FWB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10593 ((9E)-N1-(7-(1,2,3,4-Tetrahydroacridin-9-ylamino)he...) Show SMILES CC=C1C2C=C(C)CC1(N)CC(NCCCCCCCNc1c3CCCCc3nc3ccccc13)C2(C)C |t:4,TLB:1:2:4.5.7:35.10.11,6:5:2:35.10.11,12:11:2:4.5.7| Show InChI InChI=1S/C34H50N4/c1-5-27-28-21-24(2)22-34(27,35)23-31(33(28,3)4)36-19-13-7-6-8-14-20-37-32-25-15-9-11-17-29(25)38-30-18-12-10-16-26(30)32/h5,9,11,15,17,21,28,31,36H,6-8,10,12-14,16,18-20,22-23,35H2,1-4H3,(H,37,38)/b27-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20.8	-10.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita di Siena					Assay Description The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...				J Med Chem 49: 3421-5 (2006) Article DOI: 10.1021/jm060257t BindingDB Entry DOI: 10.7270/Q2WW7FWB
					More data for this Ligand-Target Pair