Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50317205'   

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))	BDBM50317205 (9-[12beta-Carboline-9-yl)dodecyl]-beta-carboline |...) Show SMILES C(CCCCCCn1c2ccccc2c2ccncc12)CCCCCn1c2ccccc2c2ccncc12 Show InChI InChI=1S/C34H38N4/c1(3-5-7-13-23-37-31-17-11-9-15-27(31)29-19-21-35-25-33(29)37)2-4-6-8-14-24-38-32-18-12-10-16-28(32)30-20-22-36-26-34(30)38/h9-12,15-22,25-26H,1-8,13-14,23-24H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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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