Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM9034'   

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))	BDBM9034 (1H-Indole-3-carboxylic Acid [8-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-21-15-16-24-28(19-21)35-27-14-8-6-12-23(27)29(24)32-17-9-3-1-2-4-10-18-33-30(36)25-20-34-26-13-7-5-11-22(25)26/h5,7,11,13,15-16,19-20,34H,1-4,6,8-10,12,14,17-18H2,(H,32,35)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.4	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
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