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PubMed code 26583263

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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Similars

PDB
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine as substrate assessed as substrate hydrolysis preincubated for 20 mins followed by subst...


J Nat Prod 78: 3075-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00830
BindingDB Entry DOI: 10.7270/Q2T72MFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50500806
PNG
(CHEMBL3758282)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](=O)-[#6@@H]1-[#6](=O)[C@]2([#6]\[#6]=[#6](\[#6])-[#6])[#8]-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]1([#6])[#6]\[#6]=[#6]\C([#6])([#6])[#8])[#6]2=O |r,THB:41:40:6.31.25.7.24:15.16|
Show InChI InChI=1S/C36H54O6/c1-12-26(8)29(37)28-30(38)36(21-17-25(6)7)31(39)35(32(40)42-36,20-16-24(4)5)22-27(15-14-23(2)3)34(28,11)19-13-18-33(9,10)41/h13-14,16-18,26-28,41H,12,15,19-22H2,1-11H3/b18-13+/t26?,27-,28+,34+,35+,36-/m0/s1
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Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine as substrate assessed as substrate hydrolysis preincubated for 20 mins followed by subst...


J Nat Prod 78: 3075-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00830
BindingDB Entry DOI: 10.7270/Q2T72MFH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50500807
PNG
(CHEMBL3759090)
Show SMILES [#6]-[#6](-[#6])-[#6](=O)-[#6@@H]1-[#6](=O)[C@]2([#6]\[#6]=[#6](\[#6])-[#6])[#8]-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]1([#6])[#6]\[#6]=[#6]\C([#6])([#6])[#8])[#6]2=O |r,THB:40:39:5.30.24.6.23:14.15|
Show InChI InChI=1S/C35H52O6/c1-22(2)13-14-26-21-34(19-15-23(3)4)30(38)35(41-31(34)39,20-16-24(5)6)29(37)27(28(36)25(7)8)33(26,11)18-12-17-32(9,10)40/h12-13,15-17,25-27,40H,14,18-21H2,1-11H3/b17-12+/t26-,27+,33+,34+,35-/m0/s1
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PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine as substrate assessed as substrate hydrolysis preincubated for 20 mins followed by subst...


J Nat Prod 78: 3075-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00830
BindingDB Entry DOI: 10.7270/Q2T72MFH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%