Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM10594'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholinesterase (Homo sapiens (Human))	BDBM10594 ((9E)-N1-(7-(1,2,3,4-Tetrahydroacridin-9-ylamino)he...) Show SMILES CC=C1C2CC(CC1(N)CC(C)=C2)NCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:12,TLB:11:10:2:4.6.5,13:5:2:12.10.9,THB:1:2:12.10.9:4.6.5| Show InChI InChI=1S/C32H46N4/c1-3-28-24-19-23(2)21-32(28,33)22-25(20-24)34-17-11-5-4-6-12-18-35-31-26-13-7-9-15-29(26)36-30-16-10-8-14-27(30)31/h3,7,9,13,15,19,24-25,34H,4-6,8,10-12,14,16-18,20-22,33H2,1-2H3,(H,35,36)/b28-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30.8	-42.9	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
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