Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50317183'   

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))	BDBM50317183 (2-[11-(beta-Carboline-2-ium-2-yl)undecyl]-beta-car...) Show SMILES C(CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21 Show InChI InChI=1S/C33H36N4/c1(2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36)3-5-7-13-21-37-23-19-29-27-15-9-11-17-31(27)35-33(29)25-37/h8-11,14-19,22-25H,1-7,12-13,20-21H2/p+2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universitat Jena Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by modified Ellman's method				J Med Chem 53: 3611-7 (2010) Article DOI: 10.1021/jm1000024 BindingDB Entry DOI: 10.7270/Q2SJ1KS0
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