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PubMed code 26260334

Compile data set for download or QSAR
Found 28 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


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114377
PNG
(CHEMBL3604283)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCCCCCOc3ccc(CNc4ccc5[nH]ccc5c4)cc3)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C37H43N3O4/c1-42-33-13-8-28-25-40(20-17-37-16-14-30(41)23-34(37)44-36(33)35(28)37)19-4-2-3-5-21-43-31-10-6-26(7-11-31)24-39-29-9-12-32-27(22-29)15-18-38-32/h6-16,18,22,30,34,38-39,41H,2-5,17,19-21,23-25H2,1H3/t30-,34-,37-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114376
PNG
(CHEMBL3604335)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCCCCCOc3ccc4[nH]ccc4c3)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C30H36N2O4/c1-34-26-9-6-22-20-32(16-13-30-12-10-23(33)19-27(30)36-29(26)28(22)30)15-4-2-3-5-17-35-24-7-8-25-21(18-24)11-14-31-25/h6-12,14,18,23,27,31,33H,2-5,13,15-17,19-20H2,1H3/t23-,27-,30-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114375
PNG
(CHEMBL3604336)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCCCCC(=O)Nc3ccc4[nH]ccc4c3)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C30H35N3O4/c1-36-25-9-6-21-19-33(16-13-30-12-10-23(34)18-26(30)37-29(25)28(21)30)15-4-2-3-5-27(35)32-22-7-8-24-20(17-22)11-14-31-24/h6-12,14,17,23,26,31,34H,2-5,13,15-16,18-19H2,1H3,(H,32,35)/t23-,26-,30-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114382
PNG
(CHEMBL3604349)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(Br)cc3)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C23H24BrNO3/c1-27-19-7-4-16-14-25(13-15-2-5-17(24)6-3-15)11-10-23-9-8-18(26)12-20(23)28-22(19)21(16)23/h2-9,18,20,26H,10-14H2,1H3/t18-,20-,23-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114374
PNG
(CHEMBL3604337)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCCCCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C34H41N3O6/c1-41-28-12-11-22-21-37(17-15-34-14-13-24(38)19-29(34)43-32(28)31(22)34)16-7-3-4-10-30(39)36-27(33(40)42-2)18-23-20-35-26-9-6-5-8-25(23)26/h5-6,8-9,11-14,20,24,27,29,35,38H,3-4,7,10,15-19,21H2,1-2H3,(H,36,39)/t24-,27-,29-,34-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114381
PNG
(CHEMBL3604348)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CC(C)c3cccc(Oc4ccccc4)c3)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C31H33NO4/c1-21(22-7-6-10-26(17-22)35-25-8-4-3-5-9-25)19-32-16-15-31-14-13-24(33)18-28(31)36-30-27(34-2)12-11-23(20-32)29(30)31/h3-14,17,21,24,28,33H,15-16,18-20H2,1-2H3/t21?,24-,28-,31-/m0/s1
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Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50116355
PNG
(CHEMBL3604344)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CC(C)C(=O)c3ccc(C)cc3)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C27H31NO4/c1-17-4-6-19(7-5-17)25(30)18(2)15-28-13-12-27-11-10-21(29)14-23(27)32-26-22(31-3)9-8-20(16-28)24(26)27/h4-11,18,21,23,29H,12-16H2,1-3H3/t18?,21-,23-,27-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50237933
PNG
(CHEMBL442287 | N-(14-methylallyl)norgalanthamine)
Show SMILES COc1ccc2CN(CC(C)=C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |c:15|
Show InChI InChI=1S/C20H25NO3/c1-13(2)11-21-9-8-20-7-6-15(22)10-17(20)24-19-16(23-3)5-4-14(12-21)18(19)20/h4-7,15,17,22H,1,8-12H2,2-3H3/t15-,17-,20-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114380
PNG
(CHEMBL3604347)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)C(=O)CCc1cccc(Nc2c(Cl)cccc2Cl)c1 |r,c:5|
Show InChI InChI=1S/C31H30Cl2N2O4/c1-38-25-10-9-20-18-35(15-14-31-13-12-22(36)17-26(31)39-30(25)28(20)31)27(37)11-8-19-4-2-5-21(16-19)34-29-23(32)6-3-7-24(29)33/h2-7,9-10,12-13,16,22,26,34,36H,8,11,14-15,17-18H2,1H3/t22-,26-,31-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114390
PNG
(CHEMBL3604357)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)C(=O)NC1CCCCC1 |r,c:5|
Show InChI InChI=1S/C23H30N2O4/c1-28-18-8-7-15-14-25(22(27)24-16-5-3-2-4-6-16)12-11-23-10-9-17(26)13-19(23)29-21(18)20(15)23/h7-10,16-17,19,26H,2-6,11-14H2,1H3,(H,24,27)/t17-,19-,23-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114389
PNG
(CHEMBL3604356)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCCN(C)C)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C21H30N2O3/c1-22(2)10-4-11-23-12-9-21-8-7-16(24)13-18(21)26-20-17(25-3)6-5-15(14-23)19(20)21/h5-8,16,18,24H,4,9-14H2,1-3H3/t16-,18-,21-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114384
PNG
(CHEMBL3604351)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCC(=O)OCC)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C21H27NO5/c1-3-26-18(24)7-10-22-11-9-21-8-6-15(23)12-17(21)27-20-16(25-2)5-4-14(13-22)19(20)21/h4-6,8,15,17,23H,3,7,9-13H2,1-2H3/t15-,17-,21-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114386
PNG
(CHEMBL3604353)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)C(=O)c1ccc(Br)cc1 |r,c:5|
Show InChI InChI=1S/C23H22BrNO4/c1-28-18-7-4-15-13-25(22(27)14-2-5-16(24)6-3-14)11-10-23-9-8-17(26)12-19(23)29-21(18)20(15)23/h2-9,17,19,26H,10-13H2,1H3/t17-,19-,23-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114385
PNG
(CHEMBL3604352)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)C(=O)CN1CCOCC1 |r,c:5|
Show InChI InChI=1S/C22H28N2O5/c1-27-17-3-2-15-13-24(19(26)14-23-8-10-28-11-9-23)7-6-22-5-4-16(25)12-18(22)29-21(17)20(15)22/h2-5,16,18,25H,6-14H2,1H3/t16-,18-,22-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114379
PNG
(CHEMBL3604346)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)C(=O)CCN1CCCC1 |r,c:5|
Show InChI InChI=1S/C23H30N2O4/c1-28-18-5-4-16-15-25(20(27)7-12-24-10-2-3-11-24)13-9-23-8-6-17(26)14-19(23)29-22(18)21(16)23/h4-6,8,17,19,26H,2-3,7,9-15H2,1H3/t17-,19-,23-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114387
PNG
(CHEMBL3604354)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)C(=O)CN(CC)CC |r,c:5|
Show InChI InChI=1S/C22H30N2O4/c1-4-23(5-2)14-19(26)24-11-10-22-9-8-16(25)12-18(22)28-21-17(27-3)7-6-15(13-24)20(21)22/h6-9,16,18,25H,4-5,10-14H2,1-3H3/t16-,18-,22-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50116350
PNG
(CHEMBL3604341)
Show SMILES [H][C@]12[#6]-[#6@H](-[#8])-[#6]=[#6][C@]11[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-c3ccc(-[#8]-[#6])c(-[#8]2)c13 |r,c:5|
Show InChI InChI=1S/C21H27NO3/c1-14(2)7-10-22-11-9-21-8-6-16(23)12-18(21)25-20-17(24-3)5-4-15(13-22)19(20)21/h4-8,16,18,23H,9-13H2,1-3H3/t16-,18+,21+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114383
PNG
(CHEMBL3604350)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CC(=O)OCC)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C20H25NO5/c1-3-25-17(23)12-21-9-8-20-7-6-14(22)10-16(20)26-19-15(24-2)5-4-13(11-21)18(19)20/h4-7,14,16,22H,3,8-12H2,1-2H3/t14-,16-,20-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114378
PNG
(CHEMBL3604345)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)C(=O)CN1CCCCC1 |r,c:5|
Show InChI InChI=1S/C23H30N2O4/c1-28-18-6-5-16-14-25(20(27)15-24-10-3-2-4-11-24)12-9-23-8-7-17(26)13-19(23)29-22(18)21(16)23/h5-8,17,19,26H,2-4,9-15H2,1H3/t17-,19-,23-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50116352
PNG
(CHEMBL3604339)
Show SMILES [H][C@]12C[C@H](O)C=C[C@]11CCNCc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13+,16+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50116356
PNG
(CHEMBL3604343)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)C(=O)c1ccccc1 |r,c:5|
Show InChI InChI=1S/C23H23NO4/c1-27-18-8-7-16-14-24(22(26)15-5-3-2-4-6-15)12-11-23-10-9-17(25)13-19(23)28-21(18)20(16)23/h2-10,17,19,25H,11-14H2,1H3/t17-,19-,23-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114388
PNG
(CHEMBL3604355)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCC#N)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C19H22N2O3/c1-23-15-4-3-13-12-21(9-2-8-20)10-7-19-6-5-14(22)11-16(19)24-18(15)17(13)19/h3-6,14,16,22H,2,7,9-12H2,1H3/t14-,16-,19-/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50116351
PNG
(CHEMBL3604342)
Show SMILES [H][C@]12C[C@H](O)C=C[C@]11CCN(Cc3ccc(Br)cc3)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C23H24BrNO3/c1-27-19-7-4-16-14-25(13-15-2-5-17(24)6-3-15)11-10-23-9-8-18(26)12-20(23)28-22(19)21(16)23/h2-9,18,20,26H,10-14H2,1H3/t18-,20+,23+/m1/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50114391
PNG
(CHEMBL3604358)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)C(=O)CCl |r,c:5|
Show InChI InChI=1S/C18H20ClNO4/c1-23-13-3-2-11-10-20(15(22)9-19)7-6-18-5-4-12(21)8-14(18)24-17(13)16(11)18/h2-5,12,14,21H,6-10H2,1H3/t12-,14-,18-/m0/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50116354
PNG
(CHEMBL3604338)
Show SMILES [H][C@]12C[C@H](O)C=C[C@]11CCN(Cc3c1c(O2)c(OC)cc3Br)C(=S)NCC=C |r,c:5|
Show InChI InChI=1S/C20H23BrN2O3S/c1-3-7-22-19(27)23-8-6-20-5-4-12(24)9-16(20)26-18-15(25-2)10-14(21)13(11-23)17(18)20/h3-5,10,12,16,24H,1,6-9,11H2,2H3,(H,22,27)/t12-,16+,20+/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50116353
PNG
(CHEMBL3604340)
Show SMILES [H][C@]12C[C@H](O)C=C[C@]11CCN(CCN3CCOCC3)Cc3ccc(OC)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C22H30N2O4/c1-26-18-3-2-16-15-24(9-8-23-10-12-27-13-11-23)7-6-22-5-4-17(25)14-19(22)28-21(18)20(16)22/h2-5,17,19,25H,6-15H2,1H3/t17-,19+,22+/m1/s1
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n/an/a 8.40E+4n/an/an/an/an/an/a



Medical University of Sofia

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry

Bioorg Med Chem 23: 5382-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.058
BindingDB Entry DOI: 10.7270/Q2X92D35
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%