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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase' and Ligand = 'BDBM50312901'   
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
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50312901
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc(cc3)[N+]([O-])=O)ccc12
Show InChI InChI=1S/C27H28N4O4/c1-27-15-17-30(16-14-19-6-4-3-5-7-19)25(27)29(2)24-13-12-22(18-23(24)27)35-26(32)28-20-8-10-21(11-9-20)31(33)34/h3-13,18,25H,14-17H2,1-2H3,(H,28,32)/t25-,27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


Bioorg Med Chem Lett 20: 1721-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW
More data for this
Ligand-Target Pair