Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50415471'   

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))	BDBM50415471 (CHEMBL599652) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4| Show InChI InChI=1S/C29H38N6O3S/c1-35-16-6-9-21(19-35)27-29(34-39-33-27)38-18-8-17-37-20-26(36)30-14-7-15-31-28-22-10-2-4-12-24(22)32-25-13-5-3-11-23(25)28/h2,4,9-10,12H,3,5-8,11,13-20H2,1H3,(H,30,36)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.77	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BChE from equine serum by Ellman's method				J Med Chem 53: 2094-103 (2010) Article DOI: 10.1021/jm901616h BindingDB Entry DOI: 10.7270/Q2KW5H8J
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