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PubMed code 16942014

Compile data set for download or QSAR
Found 32 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))		BDBM50194097
PNG
(CHEMBL213609 | N,N'-bis[2,3-dihydropyrrolo[2,1-b]q...)
Show SMILES C(CCCC\N=c1/n2CCCc2nc2ccccc12)CCC\N=c1/n2CCCc2nc2ccccc12
Show InChI InChI=1S/C30H36N6/c1(3-9-19-31-29-23-13-5-7-15-25(23)33-27-17-11-21-35(27)29)2-4-10-20-32-30-24-14-6-8-16-26(24)34-28-18-12-22-36(28)30/h5-8,13-16H,1-4,9-12,17-22H2/b31-29-,32-30-
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n/an/a 4.80n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194105
PNG
(CHEMBL213850 | N,N'-bis[6,7,8,9-tetrahydro-11H-pyr...)
Show SMILES C(CCCC\N=c1/n2CCCCc2nc2ccccc12)CCC\N=c1/n2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H40N6/c1(3-11-21-33-31-25-15-5-7-17-27(25)35-29-19-9-13-23-37(29)31)2-4-12-22-34-32-26-16-6-8-18-28(26)36-30-20-10-14-24-38(30)32/h5-8,15-18H,1-4,9-14,19-24H2/b33-31-,34-32-
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n/an/a 7.60n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194104
PNG
(CHEMBL209382 | N,N'-bis[6,7,8,9-tetrahydro-11H-pyr...)
Show SMILES C(CCC\N=c1\n2CCCCc2nc2ccccc12)CCC\N=c1/n2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H38N6/c1(2-10-20-32-30-24-14-4-6-16-26(24)34-28-18-8-12-22-36(28)30)3-11-21-33-31-25-15-5-7-17-27(25)35-29-19-9-13-23-37(29)31/h4-7,14-17H,1-3,8-13,18-23H2/b32-30-,33-31+
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n/an/a 8.5n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194101
PNG
(CHEMBL209683 | N,N'-bis[7,8,9,10-tetrahydroazepino...)
Show SMILES C(CCCC\N=c1/n2CCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C34H44N6/c1(3-13-23-35-33-27-17-9-11-19-29(27)37-31-21-7-5-15-25-39(31)33)2-4-14-24-36-34-28-18-10-12-20-30(28)38-32-22-8-6-16-26-40(32)34/h9-12,17-20H,1-8,13-16,21-26H2/b35-33-,36-34-
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n/an/a 13n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194099
PNG
(CHEMBL216002 | N,N'-bis[7,8,9,10-tetrahydroazepino...)
Show SMILES C(CCC\N=c1\n2CCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C33H42N6/c1(2-12-22-34-32-26-16-8-10-18-28(26)36-30-20-6-4-14-24-38(30)32)3-13-23-35-33-27-17-9-11-19-29(27)37-31-21-7-5-15-25-39(31)33/h8-11,16-19H,1-7,12-15,20-25H2/b34-32-,35-33+
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n/an/a 24n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194095
PNG
(CHEMBL214881 | N,N'-bis[6,7,8,9,10,11-hexahydro-13...)
Show SMILES C(CCC\N=c1\n2CCCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C35H46N6/c1(4-14-24-36-34-28-18-10-12-20-30(28)38-32-22-8-2-6-16-26-40(32)34)5-15-25-37-35-29-19-11-13-21-31(29)39-33-23-9-3-7-17-27-41(33)35/h10-13,18-21H,1-9,14-17,22-27H2/b36-34-,37-35+
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n/an/a 27n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194105
PNG
(CHEMBL213850 | N,N'-bis[6,7,8,9-tetrahydro-11H-pyr...)
Show SMILES C(CCCC\N=c1/n2CCCCc2nc2ccccc12)CCC\N=c1/n2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H40N6/c1(3-11-21-33-31-25-15-5-7-17-27(25)35-29-19-9-13-23-37(29)31)2-4-12-22-34-32-26-16-6-8-18-28(26)36-30-20-10-14-24-38(30)32/h5-8,15-18H,1-4,9-14,19-24H2/b33-31-,34-32-
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n/an/a 37n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194099
PNG
(CHEMBL216002 | N,N'-bis[7,8,9,10-tetrahydroazepino...)
Show SMILES C(CCC\N=c1\n2CCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C33H42N6/c1(2-12-22-34-32-26-16-8-10-18-28(26)36-30-20-6-4-14-24-38(30)32)3-13-23-35-33-27-17-9-11-19-29(27)37-31-21-7-5-15-25-39(31)33/h8-11,16-19H,1-7,12-15,20-25H2/b34-32-,35-33+
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n/an/a 40n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194094
PNG
(CHEMBL212817 | N,N'-bis[6-chloro-2,3-dihydropyrrol...)
Show SMILES Clc1ccc2C(NCCCCCCCCN=c3n4CCCc4nc4cc(Cl)ccc34)N3CCCC3=Nc2c1 |w:15.14,c:38|
Show InChI InChI=1S/C30H36Cl2N6/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/h11-14,19-20,29,33H,1-10,15-18H2
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n/an/a 45.4n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194094
PNG
(CHEMBL212817 | N,N'-bis[6-chloro-2,3-dihydropyrrol...)
Show SMILES Clc1ccc2C(NCCCCCCCCN=c3n4CCCc4nc4cc(Cl)ccc34)N3CCCC3=Nc2c1 |w:15.14,c:38|
Show InChI InChI=1S/C30H36Cl2N6/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/h11-14,19-20,29,33H,1-10,15-18H2
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n/an/a 50.2n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194097
PNG
(CHEMBL213609 | N,N'-bis[2,3-dihydropyrrolo[2,1-b]q...)
Show SMILES C(CCCC\N=c1/n2CCCc2nc2ccccc12)CCC\N=c1/n2CCCc2nc2ccccc12
Show InChI InChI=1S/C30H36N6/c1(3-9-19-31-29-23-13-5-7-15-25(23)33-27-17-11-21-35(27)29)2-4-10-20-32-30-24-14-6-8-16-26(24)34-28-18-12-22-36(28)30/h5-8,13-16H,1-4,9-12,17-22H2/b31-29-,32-30-
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n/an/a 58n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194098
PNG
(CHEMBL212793 | N,N'-bis[6-chloro-2,3-dihydropyrrol...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N\CCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C29H32Cl2N6/c30-20-10-12-22-24(18-20)34-26-8-6-16-36(26)28(22)32-14-4-2-1-3-5-15-33-29-23-13-11-21(31)19-25(23)35-27-9-7-17-37(27)29/h10-13,18-19H,1-9,14-17H2/b32-28-,33-29+
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n/an/a 59n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194098
PNG
(CHEMBL212793 | N,N'-bis[6-chloro-2,3-dihydropyrrol...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N\CCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C29H32Cl2N6/c30-20-10-12-22-24(18-20)34-26-8-6-16-36(26)28(22)32-14-4-2-1-3-5-15-33-29-23-13-11-21(31)19-25(23)35-27-9-7-17-37(27)29/h10-13,18-19H,1-9,14-17H2/b32-28-,33-29+
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n/an/a 61n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194095
PNG
(CHEMBL214881 | N,N'-bis[6,7,8,9,10,11-hexahydro-13...)
Show SMILES C(CCC\N=c1\n2CCCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C35H46N6/c1(4-14-24-36-34-28-18-10-12-20-30(28)38-32-22-8-2-6-16-26-40(32)34)5-15-25-37-35-29-19-11-13-21-31(29)39-33-23-9-3-7-17-27-41(33)35/h10-13,18-21H,1-9,14-17,22-27H2/b36-34-,37-35+
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n/an/a 65n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
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 horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194104
PNG
(CHEMBL209382 | N,N'-bis[6,7,8,9-tetrahydro-11H-pyr...)
Show SMILES C(CCC\N=c1\n2CCCCc2nc2ccccc12)CCC\N=c1/n2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H38N6/c1(2-10-20-32-30-24-14-4-6-16-26(24)34-28-18-8-12-22-36(28)30)3-11-21-33-31-25-15-5-7-17-27(25)35-29-19-9-13-23-37(29)31/h4-7,14-17H,1-3,8-13,18-23H2/b32-30-,33-31+
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n/an/a 77n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194103
PNG
(CHEMBL387257 | N,N'-bis[2,3-dihydropyrrolo[2,1-b]q...)
Show SMILES C(CCC\N=c1\n2CCCc2nc2ccccc12)CCC\N=c1/n2CCCc2nc2ccccc12
Show InChI InChI=1S/C29H34N6/c1(2-8-18-30-28-22-12-4-6-14-24(22)32-26-16-10-20-34(26)28)3-9-19-31-29-23-13-5-7-15-25(23)33-27-17-11-21-35(27)29/h4-7,12-15H,1-3,8-11,16-21H2/b30-28-,31-29+
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n/an/a 79n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194103
PNG
(CHEMBL387257 | N,N'-bis[2,3-dihydropyrrolo[2,1-b]q...)
Show SMILES C(CCC\N=c1\n2CCCc2nc2ccccc12)CCC\N=c1/n2CCCc2nc2ccccc12
Show InChI InChI=1S/C29H34N6/c1(2-8-18-30-28-22-12-4-6-14-24(22)32-26-16-10-20-34(26)28)3-9-19-31-29-23-13-5-7-15-25(23)33-27-17-11-21-35(27)29/h4-7,12-15H,1-3,8-11,16-21H2/b30-28-,31-29+
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n/an/a 88n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
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

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
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 716n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194101
PNG
(CHEMBL209683 | N,N'-bis[7,8,9,10-tetrahydroazepino...)
Show SMILES C(CCCC\N=c1/n2CCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C34H44N6/c1(3-13-23-35-33-27-17-9-11-19-29(27)37-31-21-7-5-15-25-39(31)33)2-4-14-24-36-34-28-18-10-12-20-30(28)38-32-22-8-6-16-26-40(32)34/h9-12,17-20H,1-8,13-16,21-26H2/b35-33-,36-34-
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n/an/a 1.28E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
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 2.30E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194100
PNG
(6,7,8,9,10,11-hexahydro-13H-azocino[2,1,b]quinazol...)
Show SMILES N=c1n2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C14H17N3/c15-14-11-7-4-5-8-12(11)16-13-9-3-1-2-6-10-17(13)14/h4-5,7-8,15H,1-3,6,9-10H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
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 3.90E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194092
PNG
(CHEMBL215615 | N-[2,3-dihydropyrrolo[2,1-b]quinazo...)
Show SMILES CCCC\N=c1/n2CCCc2nc2ccccc12
Show InChI InChI=1S/C15H19N3/c1-2-3-10-16-15-12-7-4-5-8-13(12)17-14-9-6-11-18(14)15/h4-5,7-8H,2-3,6,9-11H2,1H3/b16-15-
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n/an/a 5.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
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 horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194092
PNG
(CHEMBL215615 | N-[2,3-dihydropyrrolo[2,1-b]quinazo...)
Show SMILES CCCC\N=c1/n2CCCc2nc2ccccc12
Show InChI InChI=1S/C15H19N3/c1-2-3-10-16-15-12-7-4-5-8-13(12)17-14-9-6-11-18(14)15/h4-5,7-8H,2-3,6,9-11H2,1H3/b16-15-
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n/an/a 9.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
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

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
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

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194100
PNG
(6,7,8,9,10,11-hexahydro-13H-azocino[2,1,b]quinazol...)
Show SMILES N=c1n2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C14H17N3/c15-14-11-7-4-5-8-12(11)16-13-9-3-1-2-6-10-17(13)14/h4-5,7-8,15H,1-3,6,9-10H2
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n/an/a 1.46E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50194093
PNG
(CHEMBL214080 | N-[2,3-dihydropyrrolo[2,1-b]quinazo...)
Show SMILES CC(=O)N=c1n2CCCc2nc2ccccc12 |w:3.2|
Show InChI InChI=1S/C13H13N3O/c1-9(17)14-13-10-5-2-3-6-11(10)15-12-7-4-8-16(12)13/h2-3,5-6H,4,7-8H2,1H3
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n/an/a 1.15E+5n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50194093
PNG
(CHEMBL214080 | N-[2,3-dihydropyrrolo[2,1-b]quinazo...)
Show SMILES CC(=O)N=c1n2CCCc2nc2ccccc12 |w:3.2|
Show InChI InChI=1S/C13H13N3O/c1-9(17)14-13-10-5-2-3-6-11(10)15-12-7-4-8-16(12)13/h2-3,5-6H,4,7-8H2,1H3
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n/an/a 2.04E+5n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE

J Med Chem 49: 5411-3 (2006)


Article DOI: 10.1021/jm060682m
BindingDB Entry DOI: 10.7270/Q28P6042
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%