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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'alza' and Initial = 'np'   
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


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050693
PNG
(CHEMBL3311539)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C28H49NO3/c1-22(20-26(31)32-19-8-7-18-29-16-5-6-17-29)10-12-24-23(21-30)11-13-25-27(2,3)14-9-15-28(24,25)4/h11,22,24-25,30H,5-10,12-21H2,1-4H3/t22-,24-,25-,28+/m0/s1
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4.60E+3n/an/an/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Mixed type inhibition of Torpedo californica AChE by Lineweaver-Burk plot


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
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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n/an/a 4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
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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n/an/a 29n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050693
PNG
(CHEMBL3311539)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C28H49NO3/c1-22(20-26(31)32-19-8-7-18-29-16-5-6-17-29)10-12-24-23(21-30)11-13-25-27(2,3)14-9-15-28(24,25)4/h11,22,24-25,30H,5-10,12-21H2,1-4H3/t22-,24-,25-,28+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050692
PNG
(CHEMBL3311540)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C29H51NO3/c1-23(21-27(32)33-20-9-5-6-17-30-18-7-8-19-30)11-13-25-24(22-31)12-14-26-28(2,3)15-10-16-29(25,26)4/h12,23,25-26,31H,5-11,13-22H2,1-4H3/t23-,25-,26-,29+/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050569
PNG
(CHEMBL3311548)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C28H49NO3/c1-22(20-26(31)32-19-9-18-29-16-6-5-7-17-29)10-12-24-23(21-30)11-13-25-27(2,3)14-8-15-28(24,25)4/h11,22,24-25,30H,5-10,12-21H2,1-4H3/t22-,24-,25-,28+/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050573
PNG
(CHEMBL3311544)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C28H51NO3/c1-7-29(8-2)18-9-10-19-32-26(31)20-22(3)12-14-24-23(21-30)13-15-25-27(4,5)16-11-17-28(24,25)6/h13,22,24-25,30H,7-12,14-21H2,1-6H3/t22-,24-,25-,28+/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050693
PNG
(CHEMBL3311539)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C28H49NO3/c1-22(20-26(31)32-19-8-7-18-29-16-5-6-17-29)10-12-24-23(21-30)11-13-25-27(2,3)14-9-15-28(24,25)4/h11,22,24-25,30H,5-10,12-21H2,1-4H3/t22-,24-,25-,28+/m0/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050566
PNG
(CHEMBL3309346)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C31H55NO3/c1-25(23-29(34)35-22-11-6-5-8-19-32-20-9-7-10-21-32)13-15-27-26(24-33)14-16-28-30(2,3)17-12-18-31(27,28)4/h14,25,27-28,33H,5-13,15-24H2,1-4H3/t25-,27-,28-,31+/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050691
PNG
(CHEMBL3311541)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C30H53NO3/c1-24(22-28(33)34-21-10-6-5-7-18-31-19-8-9-20-31)12-14-26-25(23-32)13-15-27-29(2,3)16-11-17-30(26,27)4/h13,24,26-27,32H,5-12,14-23H2,1-4H3/t24-,26-,27-,30+/m0/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050689
PNG
(CHEMBL3311543)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C27H49NO3/c1-7-28(8-2)17-10-18-31-25(30)19-21(3)11-13-23-22(20-29)12-14-24-26(4,5)15-9-16-27(23,24)6/h12,21,23-24,29H,7-11,13-20H2,1-6H3/t21-,23-,24-,27+/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050691
PNG
(CHEMBL3311541)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C30H53NO3/c1-24(22-28(33)34-21-10-6-5-7-18-31-19-8-9-20-31)12-14-26-25(23-32)13-15-27-29(2,3)16-11-17-30(26,27)4/h13,24,26-27,32H,5-12,14-23H2,1-4H3/t24-,26-,27-,30+/m0/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050572
PNG
(CHEMBL3311545)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C29H53NO3/c1-7-30(8-2)19-10-9-11-20-33-27(32)21-23(3)13-15-25-24(22-31)14-16-26-28(4,5)17-12-18-29(25,26)6/h14,23,25-26,31H,7-13,15-22H2,1-6H3/t23-,25-,26-,29+/m0/s1
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n/an/a 1.38E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050566
PNG
(CHEMBL3309346)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C31H55NO3/c1-25(23-29(34)35-22-11-6-5-8-19-32-20-9-7-10-21-32)13-15-27-26(24-33)14-16-28-30(2,3)17-12-18-31(27,28)4/h14,25,27-28,33H,5-13,15-24H2,1-4H3/t25-,27-,28-,31+/m0/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050567
PNG
(CHEMBL3311550)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C30H53NO3/c1-24(22-28(33)34-21-10-6-9-20-31-18-7-5-8-19-31)12-14-26-25(23-32)13-15-27-29(2,3)16-11-17-30(26,27)4/h13,24,26-27,32H,5-12,14-23H2,1-4H3/t24-,26-,27-,30+/m0/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050568
PNG
(CHEMBL3311549)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C29H51NO3/c1-23(21-27(32)33-20-9-8-19-30-17-6-5-7-18-30)11-13-25-24(22-31)12-14-26-28(2,3)15-10-16-29(25,26)4/h12,23,25-26,31H,5-11,13-22H2,1-4H3/t23-,25-,26-,29+/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050571
PNG
(CHEMBL3311546)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C30H55NO3/c1-7-31(8-2)20-11-9-10-12-21-34-28(33)22-24(3)14-16-26-25(23-32)15-17-27-29(4,5)18-13-19-30(26,27)6/h15,24,26-27,32H,7-14,16-23H2,1-6H3/t24-,26-,27-,30+/m0/s1
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n/an/a 1.52E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050695
PNG
(CHEMBL3311457)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C26H45NO3/c1-20(18-24(29)30-17-16-27-14-5-6-15-27)8-10-22-21(19-28)9-11-23-25(2,3)12-7-13-26(22,23)4/h9,20,22-23,28H,5-8,10-19H2,1-4H3/t20-,22-,23-,26+/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050571
PNG
(CHEMBL3311546)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C30H55NO3/c1-7-31(8-2)20-11-9-10-12-21-34-28(33)22-24(3)14-16-26-25(23-32)15-17-27-29(4,5)18-13-19-30(26,27)6/h15,24,26-27,32H,7-14,16-23H2,1-6H3/t24-,26-,27-,30+/m0/s1
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n/an/a 1.78E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050689
PNG
(CHEMBL3311543)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C27H49NO3/c1-7-28(8-2)17-10-18-31-25(30)19-21(3)11-13-23-22(20-29)12-14-24-26(4,5)15-9-16-27(23,24)6/h12,21,23-24,29H,7-11,13-20H2,1-6H3/t21-,23-,24-,27+/m0/s1
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n/an/a 1.81E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050696
PNG
(CHEMBL3311456)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(O)=O)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C20H34O3/c1-14(12-18(22)23)6-8-16-15(13-21)7-9-17-19(2,3)10-5-11-20(16,17)4/h7,14,16-17,21H,5-6,8-13H2,1-4H3,(H,22,23)/t14-,16-,17-,20+/m0/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050692
PNG
(CHEMBL3311540)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C29H51NO3/c1-23(21-27(32)33-20-9-5-6-17-30-18-7-8-19-30)11-13-25-24(22-31)12-14-26-28(2,3)15-10-16-29(25,26)4/h12,23,25-26,31H,5-11,13-22H2,1-4H3/t23-,25-,26-,29+/m0/s1
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n/an/a 2.21E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050573
PNG
(CHEMBL3311544)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C28H51NO3/c1-7-29(8-2)18-9-10-19-32-26(31)20-22(3)12-14-24-23(21-30)13-15-25-27(4,5)16-11-17-28(24,25)6/h13,22,24-25,30H,7-12,14-21H2,1-6H3/t22-,24-,25-,28+/m0/s1
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n/an/a 2.36E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050567
PNG
(CHEMBL3311550)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C30H53NO3/c1-24(22-28(33)34-21-10-6-9-20-31-18-7-5-8-19-31)12-14-26-25(23-32)13-15-27-29(2,3)16-11-17-30(26,27)4/h13,24,26-27,32H,5-12,14-23H2,1-4H3/t24-,26-,27-,30+/m0/s1
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n/an/a 2.48E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050572
PNG
(CHEMBL3311545)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C29H53NO3/c1-7-30(8-2)19-10-9-11-20-33-27(32)21-23(3)13-15-25-24(22-31)14-16-26-28(4,5)17-12-18-29(25,26)6/h14,23,25-26,31H,7-13,15-22H2,1-6H3/t23-,25-,26-,29+/m0/s1
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n/an/a 2.72E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050694
PNG
(CHEMBL3311458)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C27H47NO3/c1-21(19-25(30)31-18-8-17-28-15-5-6-16-28)9-11-23-22(20-29)10-12-24-26(2,3)13-7-14-27(23,24)4/h10,21,23-24,29H,5-9,11-20H2,1-4H3/t21-,23-,24-,27+/m0/s1
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n/an/a 3.38E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050569
PNG
(CHEMBL3311548)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C28H49NO3/c1-22(20-26(31)32-19-9-18-29-16-6-5-7-17-29)10-12-24-23(21-30)11-13-25-27(2,3)14-8-15-28(24,25)4/h11,22,24-25,30H,5-10,12-21H2,1-4H3/t22-,24-,25-,28+/m0/s1
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n/an/a 3.47E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050568
PNG
(CHEMBL3311549)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C29H51NO3/c1-23(21-27(32)33-20-9-8-19-30-17-6-5-7-18-30)11-13-25-24(22-31)12-14-26-28(2,3)15-10-16-29(25,26)4/h12,23,25-26,31H,5-11,13-22H2,1-4H3/t23-,25-,26-,29+/m0/s1
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n/an/a 3.71E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050690
PNG
(CHEMBL3311542)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C26H47NO3/c1-7-27(8-2)16-17-30-24(29)18-20(3)10-12-22-21(19-28)11-13-23-25(4,5)14-9-15-26(22,23)6/h11,20,22-23,28H,7-10,12-19H2,1-6H3/t20-,22-,23-,26+/m0/s1
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n/an/a 3.99E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050694
PNG
(CHEMBL3311458)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C27H47NO3/c1-21(19-25(30)31-18-8-17-28-15-5-6-16-28)9-11-23-22(20-29)10-12-24-26(2,3)13-7-14-27(23,24)4/h10,21,23-24,29H,5-9,11-20H2,1-4H3/t21-,23-,24-,27+/m0/s1
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n/an/a 4.38E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050563
PNG
(CHEMBL3309349)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C28H49NO4/c1-22(20-26(31)33-17-6-5-14-29-15-18-32-19-16-29)8-10-24-23(21-30)9-11-25-27(2,3)12-7-13-28(24,25)4/h9,22,24-25,30H,5-8,10-21H2,1-4H3/t22-,24-,25-,28+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050562
PNG
(CHEMBL3309350)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C29H51NO4/c1-23(21-27(32)34-18-7-5-6-15-30-16-19-33-20-17-30)9-11-25-24(22-31)10-12-26-28(2,3)13-8-14-29(25,26)4/h10,23,25-26,31H,5-9,11-22H2,1-4H3/t23-,25-,26-,29+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050564
PNG
(CHEMBL3309348)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C27H47NO4/c1-21(19-25(30)32-16-6-13-28-14-17-31-18-15-28)7-9-23-22(20-29)8-10-24-26(2,3)11-5-12-27(23,24)4/h8,21,23-24,29H,5-7,9-20H2,1-4H3/t21-,23-,24-,27+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050690
PNG
(CHEMBL3311542)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C26H47NO3/c1-7-27(8-2)16-17-30-24(29)18-20(3)10-12-22-21(19-28)11-13-23-25(4,5)14-9-15-26(22,23)6/h11,20,22-23,28H,7-10,12-19H2,1-6H3/t20-,22-,23-,26+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050565
PNG
(CHEMBL3309347)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C26H45NO4/c1-20(18-24(29)31-17-14-27-12-15-30-16-13-27)6-8-22-21(19-28)7-9-23-25(2,3)10-5-11-26(22,23)4/h7,20,22-23,28H,5-6,8-19H2,1-4H3/t20-,22-,23-,26+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050570
PNG
(CHEMBL3311547)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C27H47NO3/c1-21(19-25(30)31-18-17-28-15-6-5-7-16-28)9-11-23-22(20-29)10-12-24-26(2,3)13-8-14-27(23,24)4/h10,21,23-24,29H,5-9,11-20H2,1-4H3/t21-,23-,24-,27+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050565
PNG
(CHEMBL3309347)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C26H45NO4/c1-20(18-24(29)31-17-14-27-12-15-30-16-13-27)6-8-22-21(19-28)7-9-23-25(2,3)10-5-11-26(22,23)4/h7,20,22-23,28H,5-6,8-19H2,1-4H3/t20-,22-,23-,26+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050564
PNG
(CHEMBL3309348)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C27H47NO4/c1-21(19-25(30)32-16-6-13-28-14-17-31-18-15-28)7-9-23-22(20-29)8-10-24-26(2,3)11-5-12-27(23,24)4/h8,21,23-24,29H,5-7,9-20H2,1-4H3/t21-,23-,24-,27+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050563
PNG
(CHEMBL3309349)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C28H49NO4/c1-22(20-26(31)33-17-6-5-14-29-15-18-32-19-16-29)8-10-24-23(21-30)9-11-25-27(2,3)12-7-13-28(24,25)4/h9,22,24-25,30H,5-8,10-21H2,1-4H3/t22-,24-,25-,28+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050562
PNG
(CHEMBL3309350)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C29H51NO4/c1-23(21-27(32)34-18-7-5-6-15-30-16-19-33-20-17-30)9-11-25-24(22-31)10-12-26-28(2,3)13-8-14-29(25,26)4/h10,23,25-26,31H,5-9,11-22H2,1-4H3/t23-,25-,26-,29+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050561
PNG
(CHEMBL3309351)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C30H53NO4/c1-24(22-28(33)35-19-8-6-5-7-16-31-17-20-34-21-18-31)10-12-26-25(23-32)11-13-27-29(2,3)14-9-15-30(26,27)4/h11,24,26-27,32H,5-10,12-23H2,1-4H3/t24-,26-,27-,30+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050570
PNG
(CHEMBL3311547)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C27H47NO3/c1-21(19-25(30)31-18-17-28-15-6-5-7-16-28)9-11-23-22(20-29)10-12-24-26(2,3)13-8-14-27(23,24)4/h10,21,23-24,29H,5-9,11-20H2,1-4H3/t21-,23-,24-,27+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050695
PNG
(CHEMBL3311457)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN3CCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C26H45NO3/c1-20(18-24(29)30-17-16-27-14-5-6-15-27)8-10-22-21(19-28)9-11-23-25(2,3)12-7-13-26(22,23)4/h9,20,22-23,28H,5-8,10-19H2,1-4H3/t20-,22-,23-,26+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050561
PNG
(CHEMBL3309351)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C30H53NO4/c1-24(22-28(33)35-19-8-6-5-7-16-31-17-20-34-21-18-31)10-12-26-25(23-32)11-13-27-29(2,3)14-9-15-30(26,27)4/h11,24,26-27,32H,5-10,12-23H2,1-4H3/t24-,26-,27-,30+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50050696
PNG
(CHEMBL3311456)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(O)=O)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C20H34O3/c1-14(12-18(22)23)6-8-16-15(13-21)7-9-17-19(2,3)10-5-11-20(16,17)4/h7,14,16-17,21H,5-6,8-13H2,1-4H3,(H,22,23)/t14-,16-,17-,20+/m0/s1
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n/an/a 1.71E+5n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair