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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM10593'   
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))
BDBM10593
PNG
((9E)-N1-(7-(1,2,3,4-Tetrahydroacridin-9-ylamino)he...)
Show SMILES CC=C1C2C=C(C)CC1(N)CC(NCCCCCCCNc1c3CCCCc3nc3ccccc13)C2(C)C |t:4,TLB:1:2:4.5.7:35.10.11,6:5:2:35.10.11,12:11:2:4.5.7|
Show InChI InChI=1S/C34H50N4/c1-5-27-28-21-24(2)22-34(27,35)23-31(33(28,3)4)36-19-13-7-6-8-14-20-37-32-25-15-9-11-17-29(25)38-30-18-12-10-16-26(30)32/h5,9,11,15,17,21,28,31,36H,6-8,10,12-14,16,18-20,22-23,35H2,1-4H3,(H,37,38)/b27-5+
PDB
MMDB

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Similars

Article
PubMed
20.8 -43.8n/an/an/an/an/a8.025



Universita di Siena



Assay Description
The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...


J Med Chem 49: 3421-5 (2006)


Article DOI: 10.1021/jm060257t
BindingDB Entry DOI: 10.7270/Q2WW7FWB
More data for this
Ligand-Target Pair