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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM202366'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cholinesterase


(Homo sapiens (Human))		BDBM202366
PNG
(US9238626, (+/-)-(Ic) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C42H44ClN3O5/c1-24-17-25-19-26(18-24)36-33(20-25)46-32-23-28(43)13-14-29(32)39(36)44-15-8-6-4-2-3-5-7-9-16-45-42(51)27-21-31-38(35(48)22-27)41(50)37-30(40(31)49)11-10-12-34(37)47/h10-14,17,21-23,25-26,47-48H,2-9,15-16,18-20H2,1H3,(H,44,46)(H,45,51)
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PC cid
PC sid
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US Patent
n/an/a 1.10E+3n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair