Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50322774'   

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 (Equus caballus (Horse))	BDBM50322774 (7-{{3-{Methyl[3-(1,2,3,4-tetrahydroacridin-9-ylami...) Show SMILES CN(CCCNCc1ccc2cccnc2c1O)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H37N5O/c1-35(19-7-16-31-21-23-15-14-22-9-6-17-32-28(22)30(23)36)20-8-18-33-29-24-10-2-4-12-26(24)34-27-13-5-3-11-25(27)29/h2,4,6,9-10,12,14-15,17,31,36H,3,5,7-8,11,13,16,18-21H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica Curated by ChEMBL					Assay Description Inhibition of horse serum BChE by Ellman's reaction				J Med Chem 53: 4927-37 (2010) Article DOI: 10.1021/jm100329q BindingDB Entry DOI: 10.7270/Q22Z15QR
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