Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM132087'   

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))	BDBM132087 (US8841453, 19) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12 Show InChI InChI=1S/C38H50ClN5O3/c1-27(45)40-23-20-28-26-43-34-19-17-30(25-33(28)34)47-38(46)42-22-13-9-7-5-3-2-4-6-8-12-21-41-37-31-14-10-11-15-35(31)44-36-24-29(39)16-18-32(36)37/h16-19,24-26,43H,2-15,20-23H2,1H3,(H,40,45)(H,41,44)(H,42,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.31	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
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