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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'almansour' and Initial = 'ai'   
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


(Electrophorus electricus (Electric eel))		BDBM50360916
PNG
(CHEMBL1935151)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(cc34)[N+]([O-])=O)c3ccncc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H24N4O6S/c1-37-22-9-16-12-27(25(33)18(16)11-23(22)38-2)24(15-5-7-29-8-6-15)21-13-39-14-31(21)28(27)19-10-17(32(35)36)3-4-20(19)30-26(28)34/h3-11,21,24H,12-14H2,1-2H3,(H,30,34)
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n/an/a 110n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360911
PNG
(CHEMBL1935146)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(Cl)cc34)c3ccncc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H24ClN3O4S/c1-35-22-9-16-12-27(25(33)18(16)11-23(22)36-2)24(15-5-7-30-8-6-15)21-13-37-14-32(21)28(27)19-10-17(29)3-4-20(19)31-26(28)34/h3-11,21,24H,12-14H2,1-2H3,(H,31,34)
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n/an/a 340n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360906
PNG
(CHEMBL1935141)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccccc34)c3ccncc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H25N3O4S/c1-34-22-11-17-13-27(25(32)18(17)12-23(22)35-2)24(16-7-9-29-10-8-16)21-14-36-15-31(21)28(27)19-5-3-4-6-20(19)30-26(28)33/h3-12,21,24H,13-15H2,1-2H3,(H,30,33)
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n/an/a 480n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360907
PNG
(CHEMBL1935142)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccccc34)c3ccc(F)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H25FN2O4S/c1-35-23-11-17-13-28(26(33)19(17)12-24(23)36-2)25(16-7-9-18(30)10-8-16)22-14-37-15-32(22)29(28)20-5-3-4-6-21(20)31-27(29)34/h3-12,22,25H,13-15H2,1-2H3,(H,31,34)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360917
PNG
(CHEMBL1935152)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(cc34)[N+]([O-])=O)c3ccc(F)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H24FN3O6S/c1-38-23-9-16-12-28(26(34)19(16)11-24(23)39-2)25(15-3-5-17(30)6-4-15)22-13-40-14-32(22)29(28)20-10-18(33(36)37)7-8-21(20)31-27(29)35/h3-11,22,25H,12-14H2,1-2H3,(H,31,35)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360912
PNG
(CHEMBL1935147)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(Cl)cc34)c3ccc(F)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H24ClFN2O4S/c1-36-23-9-16-12-28(26(34)19(16)11-24(23)37-2)25(15-3-6-18(31)7-4-15)22-13-38-14-33(22)29(28)20-10-17(30)5-8-21(20)32-27(29)35/h3-11,22,25H,12-14H2,1-2H3,(H,32,35)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523570
PNG
(CHEMBL4436182)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(c3)[N+]([O-])=O)C2=O)c1 |c:39,t:32|
Show InChI InChI=1S/C44H35N7O5/c52-42-29(19-26-9-7-11-30(20-26)50(53)54)23-45-25-43(42)39(27-10-8-12-31(21-27)51(55)56)38(22-28-24-46-35-16-4-2-13-32(28)35)49-44(43)34-15-3-1-14-33(34)40-41(44)48-37-18-6-5-17-36(37)47-40/h1-21,24,38-41,45-46,49H,22-23,25H2/b29-19+
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n/an/a 2.01E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50537713
PNG
(CHEMBL4639749)
Show SMILES Cc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O2/c1-17-10-12-18(13-11-17)25-27(35(36)37)24(14-19-15-30-16-31-19)34-29(25)21-7-3-2-6-20(21)26-28(29)33-23-9-5-4-8-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 2.02E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C gamma

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50537716
PNG
(CHEMBL4642244)
Show SMILES COc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O3/c1-38-19-12-10-17(11-13-19)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-7-3-2-6-20(21)26-28(29)33-23-9-5-4-8-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 2.05E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		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 2.09E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		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 2.09E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360918
PNG
(CHEMBL1935153)
Show SMILES COc1ccc(cc1OC)C1C2CSCN2C2(C(=O)Nc3ccc(cc23)[N+]([O-])=O)C11Cc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C31H29N3O8S/c1-39-23-8-5-16(9-24(23)40-2)27-22-14-43-15-33(22)31(20-11-18(34(37)38)6-7-21(20)32-29(31)36)30(27)13-17-10-25(41-3)26(42-4)12-19(17)28(30)35/h5-12,22,27H,13-15H2,1-4H3,(H,32,36)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360919
PNG
(CHEMBL1935154)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(cc34)[N+]([O-])=O)c3ccccc3Cl)C(=O)c2cc1OC
Show InChI InChI=1S/C29H24ClN3O6S/c1-38-23-9-15-12-28(26(34)18(15)11-24(23)39-2)25(17-5-3-4-6-20(17)30)22-13-40-14-32(22)29(28)19-10-16(33(36)37)7-8-21(19)31-27(29)35/h3-11,22,25H,12-14H2,1-2H3,(H,31,35)
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n/an/a 2.12E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360913
PNG
(CHEMBL1935148)
Show SMILES COc1ccc(cc1OC)C1C2CSCN2C2(C(=O)Nc3ccc(Cl)cc23)C11Cc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C31H29ClN2O6S/c1-37-23-8-5-16(9-24(23)38-2)27-22-14-41-15-34(22)31(20-11-18(32)6-7-21(20)33-29(31)36)30(27)13-17-10-25(39-3)26(40-4)12-19(17)28(30)35/h5-12,22,27H,13-15H2,1-4H3,(H,33,36)
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n/an/a 2.24E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360915
PNG
(CHEMBL1935150)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(Cl)cc34)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H25ClN2O4S/c1-35-23-10-17-13-28(26(33)19(17)12-24(23)36-2)25(16-6-4-3-5-7-16)22-14-37-15-32(22)29(28)20-11-18(30)8-9-21(20)31-27(29)34/h3-12,22,25H,13-15H2,1-2H3,(H,31,34)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360920
PNG
(CHEMBL1935155)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(cc34)[N+]([O-])=O)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H25N3O6S/c1-37-23-10-17-13-28(26(33)19(17)12-24(23)38-2)25(16-6-4-3-5-7-16)22-14-39-15-31(22)29(28)20-11-18(32(35)36)8-9-21(20)30-27(29)34/h3-12,22,25H,13-15H2,1-2H3,(H,30,34)
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n/an/a 3.16E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523571
PNG
(CHEMBL4522515)
Show SMILES Cc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(C)cc3)C2=O)cc1 |c:36,t:29|
Show InChI InChI=1S/C46H41N5O/c1-28-15-19-30(20-16-28)23-33-25-47-27-45(44(33)52)41(31-21-17-29(2)18-22-31)40(24-32-26-48-37-12-6-4-9-34(32)37)51-46(45)36-11-5-3-10-35(36)42-43(46)50-39-14-8-7-13-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+
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n/an/a 3.22E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360914
PNG
(CHEMBL1935149)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(Cl)cc34)c3ccccc3Cl)C(=O)c2cc1OC
Show InChI InChI=1S/C29H24Cl2N2O4S/c1-36-23-9-15-12-28(26(34)18(15)11-24(23)37-2)25(17-5-3-4-6-20(17)31)22-13-38-14-33(22)29(28)19-10-16(30)7-8-21(19)32-27(29)35/h3-11,22,25H,12-14H2,1-2H3,(H,32,35)
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n/an/a 3.28E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50537714
PNG
(CHEMBL4642959)
Show SMILES COc1ccccc1C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O3/c1-38-24-13-7-3-9-19(24)25-27(35(36)37)23(14-17-15-30-16-31-17)34-29(25)20-10-4-2-8-18(20)26-28(29)33-22-12-6-5-11-21(22)32-26/h2-13,15-16,23,25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 5.22E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C beta 1

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523579
PNG
(CHEMBL4473000)
Show SMILES Cc1ccccc1\C=C1/CNCC2(C(C(Cc3c[nH]c4ccccc34)NC22C3N=c4ccccc4=NC3c3ccccc23)c2ccccc2C)C1=O |c:39,t:32|
Show InChI InChI=1S/C46H41N5O/c1-28-13-3-5-15-30(28)23-32-25-47-27-45(44(32)52)41(33-16-6-4-14-29(33)2)40(24-31-26-48-37-20-10-8-17-34(31)37)51-46(45)36-19-9-7-18-35(36)42-43(46)50-39-22-12-11-21-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b32-23+
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n/an/a 5.80E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360910
PNG
(CHEMBL1935145)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccccc34)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H26N2O4S/c1-34-23-12-18-14-28(26(32)19(18)13-24(23)35-2)25(17-8-4-3-5-9-17)22-15-36-16-31(22)29(28)20-10-6-7-11-21(20)30-27(29)33/h3-13,22,25H,14-16H2,1-2H3,(H,30,33)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360908
PNG
(CHEMBL1935143)
Show SMILES COc1ccc(cc1OC)C1C2CSCN2C2(C(=O)Nc3ccccc23)C11Cc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C31H30N2O6S/c1-36-23-10-9-17(11-24(23)37-2)27-22-15-40-16-33(22)31(20-7-5-6-8-21(20)32-29(31)35)30(27)14-18-12-25(38-3)26(39-4)13-19(18)28(30)34/h5-13,22,27H,14-16H2,1-4H3,(H,32,35)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523576
PNG
(CHEMBL4459290)
Show SMILES Cc1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(C)c3)C2=O)c1 |c:37,t:30|
Show InChI InChI=1S/C46H41N5O/c1-28-11-9-13-30(21-28)23-33-25-47-27-45(44(33)52)41(31-14-10-12-29(2)22-31)40(24-32-26-48-37-18-6-4-15-34(32)37)51-46(45)36-17-5-3-16-35(36)42-43(46)50-39-20-8-7-19-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+
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n/an/a 6.84E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523577
PNG
(CHEMBL4452994)
Show SMILES COc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(OC)cc3)C2=O)cc1 |c:37,t:30|
Show InChI InChI=1S/C46H41N5O3/c1-53-32-19-15-28(16-20-32)23-31-25-47-27-45(44(31)52)41(29-17-21-33(54-2)22-18-29)40(24-30-26-48-37-12-6-4-9-34(30)37)51-46(45)36-11-5-3-10-35(36)42-43(46)50-39-14-8-7-13-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b31-23+
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n/an/a 7.20E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523572
PNG
(CHEMBL4549715)
Show SMILES O=C1\C(CNCC11C(C(Cc2c[nH]c3ccccc23)NC11C2N=c3ccccc3=NC2c2ccccc12)c1ccccc1)=C\c1ccccc1 |c:33,t:26|
Show InChI InChI=1S/C44H37N5O/c50-42-31(23-28-13-3-1-4-14-28)25-45-27-43(42)39(29-15-5-2-6-16-29)38(24-30-26-46-35-20-10-8-17-32(30)35)49-44(43)34-19-9-7-18-33(34)40-41(44)48-37-22-12-11-21-36(37)47-40/h1-23,26,38-41,45-46,49H,24-25,27H2/b31-23+
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n/an/a 7.35E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50537712
PNG
(CHEMBL4633851)
Show SMILES Cc1cccc(c1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O2/c1-17-7-6-8-18(13-17)25-27(35(36)37)24(14-19-15-30-16-31-19)34-29(25)21-10-3-2-9-20(21)26-28(29)33-23-12-5-4-11-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 7.80E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C beta 1

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50360909
PNG
(CHEMBL1935144)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccccc34)c3ccccc3Cl)C(=O)c2cc1OC
Show InChI InChI=1S/C29H25ClN2O4S/c1-35-23-11-16-13-28(26(33)18(16)12-24(23)36-2)25(17-7-3-5-9-20(17)30)22-14-37-15-32(22)29(28)19-8-4-6-10-21(19)31-27(29)34/h3-12,22,25H,13-15H2,1-2H3,(H,31,34)
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n/an/a 8.32E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50537715
PNG
(CHEMBL4639357)
Show SMILES COc1cccc(c1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O3/c1-38-19-8-6-7-17(13-19)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-10-3-2-9-20(21)26-28(29)33-23-12-5-4-11-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 9.20E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C beta 1

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50537711
PNG
(CHEMBL4644961)
Show SMILES Cc1ccccc1C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O2/c1-17-8-2-3-9-19(17)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-11-5-4-10-20(21)26-28(29)33-23-13-7-6-12-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C gamma

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523574
PNG
(CHEMBL4562781)
Show SMILES Clc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(Cl)cc3Cl)C2=O)c(Cl)c1 |c:36,t:29|
Show InChI InChI=1S/C44H33Cl4N5O/c45-27-14-13-24(33(47)19-27)17-26-21-49-23-43(42(26)54)39(31-16-15-28(46)20-34(31)48)38(18-25-22-50-35-10-4-2-7-29(25)35)53-44(43)32-9-3-1-8-30(32)40-41(44)52-37-12-6-5-11-36(37)51-40/h1-17,19-20,22,38-41,49-50,53H,18,21,23H2/b26-17+
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n/an/a 1.02E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50523570
PNG
(CHEMBL4436182)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(c3)[N+]([O-])=O)C2=O)c1 |c:39,t:32|
Show InChI InChI=1S/C44H35N7O5/c52-42-29(19-26-9-7-11-30(20-26)50(53)54)23-45-25-43(42)39(27-10-8-12-31(21-27)51(55)56)38(22-28-24-46-35-16-4-2-13-32(28)35)49-44(43)34-15-3-1-14-33(34)40-41(44)48-37-18-6-5-17-36(37)47-40/h1-21,24,38-41,45-46,49H,22-23,25H2/b29-19+
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n/an/a 1.05E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50537716
PNG
(CHEMBL4642244)
Show SMILES COc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O3/c1-38-19-12-10-17(11-13-19)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-7-3-2-6-20(21)26-28(29)33-23-9-5-4-8-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 1.15E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50537708
PNG
(CHEMBL4632770)
Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccc1)c1ccccc1-c1nc3ccccc3nc21
Show InChI InChI=1S/C28H22N6O2/c35-34(36)26-23(14-18-15-29-16-30-18)33-28(24(26)17-8-2-1-3-9-17)20-11-5-4-10-19(20)25-27(28)32-22-13-7-6-12-21(22)31-25/h1-13,15-16,23-24,26,33H,14H2,(H,29,30)
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n/an/a 1.18E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C zeta

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50537713
PNG
(CHEMBL4639749)
Show SMILES Cc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O2/c1-17-10-12-18(13-11-17)25-27(35(36)37)24(14-19-15-30-16-31-19)34-29(25)21-7-3-2-6-20(21)26-28(29)33-23-9-5-4-8-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 1.24E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C delta

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50523571
PNG
(CHEMBL4522515)
Show SMILES Cc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(C)cc3)C2=O)cc1 |c:36,t:29|
Show InChI InChI=1S/C46H41N5O/c1-28-15-19-30(20-16-28)23-33-25-47-27-45(44(33)52)41(31-21-17-29(2)18-22-31)40(24-32-26-48-37-12-6-4-9-34(32)37)51-46(45)36-11-5-3-10-35(36)42-43(46)50-39-14-8-7-13-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+
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n/an/a 1.24E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523575
PNG
(CHEMBL4452219)
Show SMILES Clc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(Cl)cc3)C2=O)cc1 |c:36,t:29|
Show InChI InChI=1S/C44H35Cl2N5O/c45-30-17-13-26(14-18-30)21-29-23-47-25-43(42(29)52)39(27-15-19-31(46)20-16-27)38(22-28-24-48-35-10-4-2-7-32(28)35)51-44(43)34-9-3-1-8-33(34)40-41(44)50-37-12-6-5-11-36(37)49-40/h1-21,24,38-41,47-48,51H,22-23,25H2/b29-21+
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n/an/a 1.25E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50537712
PNG
(CHEMBL4633851)
Show SMILES Cc1cccc(c1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O2/c1-17-7-6-8-18(13-17)25-27(35(36)37)24(14-19-15-30-16-31-19)34-29(25)21-10-3-2-9-20(21)26-28(29)33-23-12-5-4-11-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 1.36E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition Protein kinase C gamma

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50537711
PNG
(CHEMBL4644961)
Show SMILES Cc1ccccc1C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O2/c1-17-8-2-3-9-19(17)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-11-5-4-10-20(21)26-28(29)33-23-13-7-6-12-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 1.38E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50523572
PNG
(CHEMBL4549715)
Show SMILES O=C1\C(CNCC11C(C(Cc2c[nH]c3ccccc23)NC11C2N=c3ccccc3=NC2c2ccccc12)c1ccccc1)=C\c1ccccc1 |c:33,t:26|
Show InChI InChI=1S/C44H37N5O/c50-42-31(23-28-13-3-1-4-14-28)25-45-27-43(42)39(29-15-5-2-6-16-29)38(24-30-26-46-35-20-10-8-17-32(30)35)49-44(43)34-19-9-7-18-33(34)40-41(44)48-37-22-12-11-21-36(37)47-40/h1-23,26,38-41,45-46,49H,24-25,27H2/b31-23+
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n/an/a 1.42E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50537714
PNG
(CHEMBL4642959)
Show SMILES COc1ccccc1C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O3/c1-38-24-13-7-3-9-19(24)25-27(35(36)37)23(14-17-15-30-16-31-17)34-29(25)20-10-4-2-8-18(20)26-28(29)33-22-12-6-5-11-21(22)32-26/h2-13,15-16,23,25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 1.42E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50537717
PNG
(CHEMBL4632994)
Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccco1)c1ccccc1-c1nc3ccccc3nc21
Show InChI InChI=1S/C26H20N6O3/c33-32(34)24-20(12-15-13-27-14-28-15)31-26(22(24)21-10-5-11-35-21)17-7-2-1-6-16(17)23-25(26)30-19-9-4-3-8-18(19)29-23/h1-11,13-14,20,22,24,31H,12H2,(H,27,28)
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n/an/a 1.42E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition Protein kinase C gamma

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50523579
PNG
(CHEMBL4473000)
Show SMILES Cc1ccccc1\C=C1/CNCC2(C(C(Cc3c[nH]c4ccccc34)NC22C3N=c4ccccc4=NC3c3ccccc23)c2ccccc2C)C1=O |c:39,t:32|
Show InChI InChI=1S/C46H41N5O/c1-28-13-3-5-15-30(28)23-32-25-47-27-45(44(32)52)41(33-16-6-4-14-29(33)2)40(24-31-26-48-37-20-10-8-17-34(31)37)51-46(45)36-19-9-7-18-35(36)42-43(46)50-39-22-12-11-21-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b32-23+
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n/an/a 1.47E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50537715
PNG
(CHEMBL4639357)
Show SMILES COc1cccc(c1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O
Show InChI InChI=1S/C29H24N6O3/c1-38-19-8-6-7-17(13-19)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-10-3-2-9-20(21)26-28(29)33-23-12-5-4-11-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)
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n/an/a 1.47E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C delta

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50523576
PNG
(CHEMBL4459290)
Show SMILES Cc1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(C)c3)C2=O)c1 |c:37,t:30|
Show InChI InChI=1S/C46H41N5O/c1-28-11-9-13-30(21-28)23-33-25-47-27-45(44(33)52)41(31-14-10-12-29(2)22-31)40(24-32-26-48-37-18-6-4-15-34(32)37)51-46(45)36-17-5-3-16-35(36)42-43(46)50-39-20-8-7-19-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+
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n/an/a 1.52E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523578
PNG
(CHEMBL4464716)
Show SMILES Brc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(Br)cc3)C2=O)cc1 |c:36,t:29|
Show InChI InChI=1S/C44H35Br2N5O/c45-30-17-13-26(14-18-30)21-29-23-47-25-43(42(29)52)39(27-15-19-31(46)20-16-27)38(22-28-24-48-35-10-4-2-7-32(28)35)51-44(43)34-9-3-1-8-33(34)40-41(44)50-37-12-6-5-11-36(37)49-40/h1-21,24,38-41,47-48,51H,22-23,25H2/b29-21+
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n/an/a 1.53E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50537708
PNG
(CHEMBL4632770)
Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccc1)c1ccccc1-c1nc3ccccc3nc21
Show InChI InChI=1S/C28H22N6O2/c35-34(36)26-23(14-18-15-29-16-30-18)33-28(24(26)17-8-2-1-3-9-17)20-11-5-4-10-19(20)25-27(28)32-22-13-7-6-12-21(22)31-25/h1-13,15-16,23-24,26,33H,14H2,(H,29,30)
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n/an/a 1.56E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50537709
PNG
(CHEMBL4648224)
Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccc(Br)cc1)c1ccccc1-c1nc3ccccc3nc21
Show InChI InChI=1S/C28H21BrN6O2/c29-17-11-9-16(10-12-17)24-26(35(36)37)23(13-18-14-30-15-31-18)34-28(24)20-6-2-1-5-19(20)25-27(28)33-22-8-4-3-7-21(22)32-25/h1-12,14-15,23-24,26,34H,13H2,(H,30,31)
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n/an/a 1.63E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C epsilon

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50523573
PNG
(CHEMBL4583817)
Show SMILES Clc1ccccc1\C=C1/CNCC2(C(C(Cc3c[nH]c4ccccc34)NC22C3N=c4ccccc4=NC3c3ccccc23)c2ccccc2Cl)C1=O |c:39,t:32|
Show InChI InChI=1S/C44H35Cl2N5O/c45-33-16-6-1-11-26(33)21-28-23-47-25-43(42(28)52)39(31-14-3-7-17-34(31)46)38(22-27-24-48-35-18-8-4-12-29(27)35)51-44(43)32-15-5-2-13-30(32)40-41(44)50-37-20-10-9-19-36(37)49-40/h1-21,24,38-41,47-48,51H,22-23,25H2/b28-21+
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n/an/a 1.64E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...

Bioorg Med Chem 27: 2621-2628 (2019)


Article DOI: 10.1016/j.bmc.2019.03.058
BindingDB Entry DOI: 10.7270/Q26W9FGH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50537718
PNG
(CHEMBL4636399)
Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccn1)c1ccccc1-c1nc3ccccc3nc21
Show InChI InChI=1S/C27H21N7O2/c35-34(36)25-22(13-16-14-28-15-30-16)33-27(23(25)21-11-5-6-12-29-21)18-8-2-1-7-17(18)24-26(27)32-20-10-4-3-9-19(20)31-24/h1-12,14-15,22-23,25,33H,13H2,(H,28,30)
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n/an/a 1.70E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C delta

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126789
BindingDB Entry DOI: 10.7270/Q2NC64QN
More data for this
Ligand-Target Pair
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