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Compile Data Set for Download or QSAR

Found 8 hits of ph data with Target = 'Butyrylcholinesterase (BuChE)'   
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 (BuChE)


(Equus caballus (Horse))
BDBM235647
PNG
(N1,N3-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...)
Show SMILES COc1cc(CNCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12
Show InChI InChI=1S/C21H26N2O6/c1-24-16-6-14(8-18-20(16)28-12-26-18)10-22-4-3-5-23-11-15-7-17(25-2)21-19(9-15)27-13-29-21/h6-9,22-23H,3-5,10-13H2,1-2H3
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PC sid
UniChem
Article
PubMed
n/an/a 5.23E+4n/an/an/an/a8.037



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...


J Enzyme Inhib Med Chem 26: 706-11 (2011)


Article DOI: 10.3109/14756366.2010.548329
BindingDB Entry DOI: 10.7270/Q29022NH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM235648
PNG
(N1,N4-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...)
Show SMILES COc1cc(CNCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12
Show InChI InChI=1S/C22H28N2O6/c1-25-17-7-15(9-19-21(17)29-13-27-19)11-23-5-3-4-6-24-12-16-8-18(26-2)22-20(10-16)28-14-30-22/h7-10,23-24H,3-6,11-14H2,1-2H3
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 1.21E+4n/an/an/an/a8.037



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...


J Enzyme Inhib Med Chem 26: 706-11 (2011)


Article DOI: 10.3109/14756366.2010.548329
BindingDB Entry DOI: 10.7270/Q29022NH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM235649
PNG
(N1,N5-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...)
Show SMILES COc1cc(CNCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12
Show InChI InChI=1S/C23H30N2O6/c1-26-18-8-16(10-20-22(18)30-14-28-20)12-24-6-4-3-5-7-25-13-17-9-19(27-2)23-21(11-17)29-15-31-23/h8-11,24-25H,3-7,12-15H2,1-2H3
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 3.35E+3n/an/an/an/a8.037



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...


J Enzyme Inhib Med Chem 26: 706-11 (2011)


Article DOI: 10.3109/14756366.2010.548329
BindingDB Entry DOI: 10.7270/Q29022NH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/a8.037



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...


J Enzyme Inhib Med Chem 26: 706-11 (2011)


Article DOI: 10.3109/14756366.2010.548329
BindingDB Entry DOI: 10.7270/Q29022NH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM235651
PNG
(N1,N7-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...)
Show SMILES COc1cc(CNCCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12
Show InChI InChI=1S/C25H34N2O6/c1-28-20-10-18(12-22-24(20)32-16-30-22)14-26-8-6-4-3-5-7-9-27-15-19-11-21(29-2)25-23(13-19)31-17-33-25/h10-13,26-27H,3-9,14-17H2,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.02E+3n/an/an/an/a8.037



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...


J Enzyme Inhib Med Chem 26: 706-11 (2011)


Article DOI: 10.3109/14756366.2010.548329
BindingDB Entry DOI: 10.7270/Q29022NH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM235652
PNG
(N1, N8-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)meth...)
Show SMILES COc1cc(CNCCCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12
Show InChI InChI=1S/C26H36N2O6/c1-29-21-11-19(13-23-25(21)33-17-31-23)15-27-9-7-5-3-4-6-8-10-28-16-20-12-22(30-2)26-24(14-20)32-18-34-26/h11-14,27-28H,3-10,15-18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.11E+3n/an/an/an/a8.037



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...


J Enzyme Inhib Med Chem 26: 706-11 (2011)


Article DOI: 10.3109/14756366.2010.548329
BindingDB Entry DOI: 10.7270/Q29022NH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM235653
PNG
(N1,N9-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...)
Show SMILES COc1cc(CNCCCCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12
Show InChI InChI=1S/C27H38N2O6/c1-30-22-12-20(14-24-26(22)34-18-32-24)16-28-10-8-6-4-3-5-7-9-11-29-17-21-13-23(31-2)27-25(15-21)33-19-35-27/h12-15,28-29H,3-11,16-19H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.14E+3n/an/an/an/a8.037



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...


J Enzyme Inhib Med Chem 26: 706-11 (2011)


Article DOI: 10.3109/14756366.2010.548329
BindingDB Entry DOI: 10.7270/Q29022NH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM235650
PNG
(N1,N6-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...)
Show SMILES COc1cc(CNCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12
Show InChI InChI=1S/C24H32N2O6/c1-27-19-9-17(11-21-23(19)31-15-29-21)13-25-7-5-3-4-6-8-26-14-18-10-20(28-2)24-22(12-18)30-16-32-24/h9-12,25-26H,3-8,13-16H2,1-2H3
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.07E+3n/an/an/an/a8.037



Sun Yat-sen University



Assay Description
All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...


J Enzyme Inhib Med Chem 26: 706-11 (2011)


Article DOI: 10.3109/14756366.2010.548329
BindingDB Entry DOI: 10.7270/Q29022NH
More data for this
Ligand-Target Pair