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PubMed code 18343673

Compile data set for download or QSAR
Found 39 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
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261344
PNG
(CHEMBL466338 | N-(3-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C27H39ClN4OS2/c28-21-13-14-23-24(20-21)31-25-11-9-18-32(25)27(23)30-17-8-4-2-1-3-7-16-29-26(33)12-6-5-10-22-15-19-34-35-22/h13-14,20,22H,1-12,15-19H2,(H,29,33)/b30-27-
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n/an/a 5.70n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261292
PNG
(CHEMBL466744 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H27ClN4/c20-15-9-10-16-17(14-15)23-18-8-7-13-24(18)19(16)22-12-6-4-2-1-3-5-11-21/h9-10,14H,1-8,11-13,21H2/b22-19-
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n/an/a 12n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261343
PNG
(CHEMBL466146 | N-(4-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C26H37ClN4OS2/c27-20-12-13-22-23(19-20)30-24-10-8-17-31(24)26(22)29-16-7-3-1-2-6-15-28-25(32)11-5-4-9-21-14-18-33-34-21/h12-13,19,21H,1-11,14-18H2,(H,28,32)/b29-26-
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n/an/a 14n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261345
PNG
(5-(1,2-Dithiolan-3-yl)-N-[8-(6,7,8,9,10,11-hexahyd...)
Show SMILES O=C(CCCCC1CCSS1)NCCCCCCCC\N=c1/n2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C30H46N4OS2/c35-29(19-11-8-15-25-20-24-36-37-25)31-21-12-4-1-2-5-13-22-32-30-26-16-9-10-17-27(26)33-28-18-7-3-6-14-23-34(28)30/h9-10,16-17,25H,1-8,11-15,18-24H2,(H,31,35)/b32-30-
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n/an/a 23n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261342
PNG
(CHEMBL469153 | N-(5-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C25H35ClN4OS2/c26-19-11-12-21-22(18-19)29-23-9-7-16-30(23)25(21)28-15-6-2-1-5-14-27-24(31)10-4-3-8-20-13-17-32-33-20/h11-12,18,20H,1-10,13-17H2,(H,27,31)/b28-25-
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n/an/a 26n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261259
PNG
((N1Z,N8Z)-N1,N8-bis(6-chloro-2,3-dihydropyrrolo[2,...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C30H34Cl2N6/c31-21-11-13-23-25(19-21)35-27-9-7-17-37(27)29(23)33-15-5-3-1-2-4-6-16-34-30-24-14-12-22(32)20-26(24)36-28-10-8-18-38(28)30/h11-14,19-20H,1-10,15-18H2/b33-29-,34-30-
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n/an/a 45n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261312
PNG
(CHEMBL468753 | N-(6,7,8,9,10,11-Hexahydro-13H-azoc...)
Show SMILES NCCCCCCCC\N=c1/n2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C22H34N4/c23-16-10-4-1-2-5-11-17-24-22-19-13-8-9-14-20(19)25-21-15-7-3-6-12-18-26(21)22/h8-9,13-14H,1-7,10-12,15-18,23H2/b24-22-
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n/an/a 46n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261259
PNG
((N1Z,N8Z)-N1,N8-bis(6-chloro-2,3-dihydropyrrolo[2,...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C30H34Cl2N6/c31-21-11-13-23-25(19-21)35-27-9-7-17-37(27)29(23)33-15-5-3-1-2-4-6-16-34-30-24-14-12-22(32)20-26(24)36-28-10-8-18-38(28)30/h11-14,19-20H,1-10,15-18H2/b33-29-,34-30-
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n/an/a 50n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261315
PNG
(CHEMBL512272 | N-(6-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C24H33ClN4OS2/c25-18-10-11-20-21(17-18)28-22-8-6-15-29(22)24(20)27-14-5-1-4-13-26-23(30)9-3-2-7-19-12-16-31-32-19/h10-11,17,19H,1-9,12-16H2,(H,26,30)/b27-24-
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n/an/a 53n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194106
PNG
((N1Z,N8Z)-N1,N8-bis(6,7,8,9,10,11-hexahydroazocino...)
Show SMILES C(CCCC\N=c1/n2CCCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C36H48N6/c1(5-15-25-37-35-29-19-11-13-21-31(29)39-33-23-9-3-7-17-27-41(33)35)2-6-16-26-38-36-30-20-12-14-22-32(30)40-34-24-10-4-8-18-28-42(34)36/h11-14,19-22H,1-10,15-18,23-28H2/b37-35-,38-36-
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n/an/a 76n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261292
PNG
(CHEMBL466744 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H27ClN4/c20-15-9-10-16-17(14-15)23-18-8-7-13-24(18)19(16)22-12-6-4-2-1-3-5-11-21/h9-10,14H,1-8,11-13,21H2/b22-19-
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n/an/a 130n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261289
PNG
(CHEMBL468644 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C16H21ClN4/c17-12-6-7-13-14(11-12)20-15-5-4-10-21(15)16(13)19-9-3-1-2-8-18/h6-7,11H,1-5,8-10,18H2/b19-16-
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n/an/a 166n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261314
PNG
(CHEMBL467945 | N-(7-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C23H31ClN4OS2/c24-17-9-10-19-20(16-17)27-21-7-5-14-28(21)23(19)26-13-4-3-12-25-22(29)8-2-1-6-18-11-15-30-31-18/h9-10,16,18H,1-8,11-15H2,(H,25,29)/b26-23-
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n/an/a 170n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261289
PNG
(CHEMBL468644 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C16H21ClN4/c17-12-6-7-13-14(11-12)20-15-5-4-10-21(15)16(13)19-9-3-1-2-8-18/h6-7,11H,1-5,8-10,18H2/b19-16-
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Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261290
PNG
(CHEMBL505220 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C17H23ClN4/c18-13-7-8-14-15(12-13)21-16-6-5-11-22(16)17(14)20-10-4-2-1-3-9-19/h7-8,12H,1-6,9-11,19H2/b20-17-
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n/an/a 384n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261344
PNG
(CHEMBL466338 | N-(3-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C27H39ClN4OS2/c28-21-13-14-23-24(20-21)31-25-11-9-18-32(25)27(23)30-17-8-4-2-1-3-7-16-29-26(33)12-6-5-10-22-15-19-34-35-22/h13-14,20,22H,1-12,15-19H2,(H,29,33)/b30-27-
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n/an/a 468n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261288
PNG
(CHEMBL449136 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C15H19ClN4/c16-11-5-6-12-13(10-11)19-14-4-3-9-20(14)15(12)18-8-2-1-7-17/h5-6,10H,1-4,7-9,17H2/b18-15-
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n/an/a 480n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
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 640n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261291
PNG
(CHEMBL513824 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C18H25ClN4/c19-14-8-9-15-16(13-14)22-17-7-6-12-23(17)18(15)21-11-5-3-1-2-4-10-20/h8-9,13H,1-7,10-12,20H2/b21-18-
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n/an/a 710n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261288
PNG
(CHEMBL449136 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C15H19ClN4/c16-11-5-6-12-13(10-11)19-14-4-3-9-20(14)15(12)18-8-2-1-7-17/h5-6,10H,1-4,7-9,17H2/b18-15-
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n/an/a 720n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261342
PNG
(CHEMBL469153 | N-(5-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C25H35ClN4OS2/c26-19-11-12-21-22(18-19)29-23-9-7-16-30(23)25(21)28-15-6-2-1-5-14-27-24(31)10-4-3-8-20-13-17-32-33-20/h11-12,18,20H,1-10,13-17H2,(H,27,31)/b28-25-
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n/an/a 740n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261258
PNG
(CHEMBL469013 | N-(7,8,9,10,11,12-hexahydroazonino[...)
Show SMILES C(\N=c1/n2CCCCCCCc2nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H25N3/c1-2-7-15-21-24-20-14-9-8-13-19(20)22(25(21)16-10-3-1)23-17-18-11-5-4-6-12-18/h4-6,8-9,11-14H,1-3,7,10,15-17H2/b23-22-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261290
PNG
(CHEMBL505220 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C17H23ClN4/c18-13-7-8-14-15(12-13)21-16-6-5-11-22(16)17(14)20-10-4-2-1-3-9-19/h7-8,12H,1-6,9-11,19H2/b20-17-
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n/an/a 1.49E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261343
PNG
(CHEMBL466146 | N-(4-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C26H37ClN4OS2/c27-20-12-13-22-23(19-20)30-24-10-8-17-31(24)26(22)29-16-7-3-1-2-6-15-28-25(32)11-5-4-9-21-14-18-33-34-21/h12-13,19,21H,1-11,14-18H2,(H,28,32)/b29-26-
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n/an/a 1.94E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194102
PNG
(CHEMBL210128 | N-[(6-chloro-2,3-dihydropyrrolo[2,1...)
Show SMILES CCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C15H18ClN3/c1-2-3-8-17-15-12-7-6-11(16)10-13(12)18-14-5-4-9-19(14)15/h6-7,10H,2-5,8-9H2,1H3/b17-15-
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n/an/a 2.29E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261313
PNG
(CHEMBL466129 | N-(8-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C22H29ClN4OS2/c23-16-8-9-18-19(15-16)26-20-6-3-13-27(20)22(18)25-12-4-11-24-21(28)7-2-1-5-17-10-14-29-30-17/h8-9,15,17H,1-7,10-14H2,(H,24,28)/b25-22-
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n/an/a 2.58E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261313
PNG
(CHEMBL466129 | N-(8-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C22H29ClN4OS2/c23-16-8-9-18-19(15-16)26-20-6-3-13-27(20)22(18)25-12-4-11-24-21(28)7-2-1-5-17-10-14-29-30-17/h8-9,15,17H,1-7,10-14H2,(H,24,28)/b25-22-
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n/an/a 2.84E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261312
PNG
(CHEMBL468753 | N-(6,7,8,9,10,11-Hexahydro-13H-azoc...)
Show SMILES NCCCCCCCC\N=c1/n2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C22H34N4/c23-16-10-4-1-2-5-11-17-24-22-19-13-8-9-14-20(19)25-21-15-7-3-6-12-18-26(21)22/h8-9,13-14H,1-7,10-12,15-18,23H2/b24-22-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194102
PNG
(CHEMBL210128 | N-[(6-chloro-2,3-dihydropyrrolo[2,1...)
Show SMILES CCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C15H18ClN3/c1-2-3-8-17-15-12-7-6-11(16)10-13(12)18-14-5-4-9-19(14)15/h6-7,10H,2-5,8-9H2,1H3/b17-15-
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n/an/a 3.93E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261291
PNG
(CHEMBL513824 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C18H25ClN4/c19-14-8-9-15-16(13-14)22-17-7-6-12-23(17)18(15)21-11-5-3-1-2-4-10-20/h8-9,13H,1-7,10-12,20H2/b21-18-
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n/an/a 4.06E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261315
PNG
(CHEMBL512272 | N-(6-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C24H33ClN4OS2/c25-18-10-11-20-21(17-18)28-22-8-6-15-29(22)24(20)27-14-5-1-4-13-26-23(30)9-3-2-7-19-12-16-31-32-19/h10-11,17,19H,1-9,12-16H2,(H,26,30)/b27-24-
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n/an/a 4.38E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261314
PNG
(CHEMBL467945 | N-(7-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C23H31ClN4OS2/c24-17-9-10-19-20(16-17)27-21-7-5-14-28(21)23(19)26-13-4-3-12-25-22(29)8-2-1-6-18-11-15-30-31-18/h9-10,16,18H,1-8,11-15H2,(H,25,29)/b26-23-
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n/an/a 4.58E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194096
PNG
(2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylidenea...)
Show SMILES N=c1n2CCCc2nc2ccccc12
Show InChI InChI=1S/C11H11N3/c12-11-8-4-1-2-5-9(8)13-10-6-3-7-14(10)11/h1-2,4-5,12H,3,6-7H2
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n/an/a 7.16E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		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 8.40E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50261287
PNG
(CHEMBL512462 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C14H17ClN4/c15-10-4-5-11-12(9-10)18-13-3-1-8-19(13)14(11)17-7-2-6-16/h4-5,9H,1-3,6-8,16H2/b17-14-
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n/an/a 1.02E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194096
PNG
(2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylidenea...)
Show SMILES N=c1n2CCCc2nc2ccccc12
Show InChI InChI=1S/C11H11N3/c12-11-8-4-1-2-5-9(8)13-10-6-3-7-14(10)11/h1-2,4-5,12H,3,6-7H2
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n/an/a 1.32E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194106
PNG
((N1Z,N8Z)-N1,N8-bis(6,7,8,9,10,11-hexahydroazocino...)
Show SMILES C(CCCC\N=c1/n2CCCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C36H48N6/c1(5-15-25-37-35-29-19-11-13-21-31(29)39-33-23-9-3-7-17-27-41(33)35)2-6-16-26-38-36-30-20-12-14-22-32(30)40-34-24-10-4-8-18-28-42(34)36/h11-14,19-22H,1-10,15-18,23-28H2/b37-35-,38-36-
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n/an/a 1.44E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261287
PNG
(CHEMBL512462 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C14H17ClN4/c15-10-4-5-11-12(9-10)18-13-3-1-8-19(13)14(11)17-7-2-6-16/h4-5,9H,1-3,6-8,16H2/b17-14-
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n/an/a 1.90E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50261258
PNG
(CHEMBL469013 | N-(7,8,9,10,11,12-hexahydroazonino[...)
Show SMILES C(\N=c1/n2CCCCCCCc2nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H25N3/c1-2-7-15-21-24-20-14-9-8-13-19(20)22(25(21)16-10-3-1)23-17-18-11-5-4-6-12-18/h4-6,8-9,11-14H,1-3,7,10,15-17H2/b23-22-
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n/an/a>5.00E+5n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE type 6S by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%