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Compile Data Set for Download or QSAR

Found 44 hits of ec50 data for polymerid = 1043,1045,1064,236,3619,3621,4933   
Target
(Institution)
LigandTarget
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


(Homo sapiens (human))
BDBM50117587
PNG
(1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylidenemet...)
Show SMILES COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H22NO3/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/h3-12,14-15H,13,16H2,1-2H3/q+1/b20-12+
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n/an/an/an/a 12n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50199518
PNG
((-)-huperzine B | CHEMBL245079 | huperzine B)
Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23
Show InChI InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117594
PNG
(1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H32NO3S/c1-27(18-20-7-5-4-6-8-20)13-11-19(12-14-27)9-10-22(28)26-16-21-15-23(29-2)24(30-3)17-25(21)31-26/h4-8,15-17,19H,9-14,18H2,1-3H3/q+1
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n/an/an/an/a 19n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117577
PNG
(1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H32NO3S/c1-27(18-20-7-5-4-6-8-20)13-11-19(12-14-27)9-10-22(28)26-16-21-15-23(29-2)24(30-3)17-25(21)31-26/h4-8,15-17,19H,9-14,18H2,1-3H3/q+1
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n/an/an/an/a 19n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
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/an/an/a 43n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117584
PNG
(1-Benzyl-4-[3-(2,3-dihydro-benzofuran-5-yl)-3-oxo-...)
Show SMILES C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3OCCc3c2)CC1
Show InChI InChI=1S/C24H30NO2/c1-25(18-20-5-3-2-4-6-20)14-11-19(12-15-25)7-9-23(26)21-8-10-24-22(17-21)13-16-27-24/h2-6,8,10,17,19H,7,9,11-16,18H2,1H3/q+1
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n/an/an/an/a 90n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117595
PNG
(1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C25H24NO3S/c1-28-22-14-20-15-25(30-24(20)16-23(22)29-2)21(27)9-8-18-10-12-26(13-11-18)17-19-6-4-3-5-7-19/h3-7,10-16H,8-9,17H2,1-2H3/q+1
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n/an/an/an/a 99n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117583
PNG
(1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylmethyl)-...)
Show InChI InChI=1S/C25H32NO3/c1-26(17-19-7-5-4-6-8-19)11-9-18(10-12-26)13-21-14-20-15-23(28-2)24(29-3)16-22(20)25(21)27/h4-8,15-16,18,21H,9-14,17H2,1-3H3/q+1
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n/an/an/an/a 100n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117592
PNG
(1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylmethyl)-...)
Show SMILES COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H24NO3/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/h3-11,14-15,20H,12-13,16H2,1-2H3/q+1
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n/an/an/an/a 100n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117599
PNG
(1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CC(O)C1CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H32NO4S/c1-27(17-18-7-5-4-6-8-18)11-9-19(10-12-27)21(28)15-22(29)26-14-20-13-23(30-2)24(31-3)16-25(20)32-26/h4-8,13-14,16,19,21,28H,9-12,15,17H2,1-3H3/q+1
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n/an/an/an/a 170n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117620
PNG
(4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-p...)
Show SMILES COCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1
Show InChI InChI=1S/C21H24NO4S/c1-24-11-10-22-8-6-15(7-9-22)4-5-17(23)21-13-16-12-18(25-2)19(26-3)14-20(16)27-21/h6-9,12-14H,4-5,10-11H2,1-3H3/q+1
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n/an/an/an/a 290n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117580
PNG
(1-Benzyl-1-methyl-4-[3-oxo-3-(2,3,4,5-tetrahydro-1...)
Show SMILES C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3CCCCNc3c2)CC1
Show InChI InChI=1S/C26H35N2O/c1-28(20-22-7-3-2-4-8-22)17-14-21(15-18-28)10-13-26(29)24-12-11-23-9-5-6-16-27-25(23)19-24/h2-4,7-8,11-12,19,21,27H,5-6,9-10,13-18,20H2,1H3/q+1
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n/an/an/an/a 331n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117574
PNG
(1-Benzyl-1-methyl-4-[3-(5-methyl-1-phenyl-1H-pyraz...)
Show SMILES Cc1cc(nn1-c1ccccc1)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H32N3O/c1-21-19-25(27-28(21)24-11-7-4-8-12-24)26(30)14-13-22-15-17-29(2,18-16-22)20-23-9-5-3-6-10-23/h3-12,19,22H,13-18,20H2,1-2H3/q+1
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n/an/an/an/a 430n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117576
PNG
(1-Benzyl-4-[3-(6-methoxy-naphthalen-2-yl)-3-oxo-pr...)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H32NO2/c1-28(20-22-6-4-3-5-7-22)16-14-21(15-17-28)8-13-27(29)25-10-9-24-19-26(30-2)12-11-23(24)18-25/h3-7,9-12,18-19,21H,8,13-17,20H2,1-2H3/q+1
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n/an/an/an/a 530n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117582
PNG
(9-methoxy-4,4-dimethyl-(1S,14R)-11-oxa-4-azoniatet...)
Show SMILES COc1ccc2C[N+](C)(C)CC[C@@]34C=C[C@H](O)CC3Oc1c24
Show InChI InChI=1S/C18H24NO3/c1-19(2)9-8-18-7-6-13(20)10-15(18)22-17-14(21-3)5-4-12(11-19)16(17)18/h4-7,13,15,20H,8-11H2,1-3H3/q+1/t13-,15?,18-/m0/s1
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n/an/an/an/a 630n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117615
PNG
(1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COC(CC(=O)c1cc2cc(OC)c(OC)cc2s1)C1CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H34NO4S/c1-28(18-19-8-6-5-7-9-19)12-10-20(11-13-28)23(30-2)16-22(29)27-15-21-14-24(31-3)25(32-4)17-26(21)33-27/h5-9,14-15,17,20,23H,10-13,16,18H2,1-4H3/q+1
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n/an/an/an/a 650n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117590
PNG
(1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydro...)
Show SMILES COc1cc2C[C@H]([C@H](O)C3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H32NO4/c1-26(16-17-7-5-4-6-8-17)11-9-18(10-12-26)24(27)21-13-19-14-22(29-2)23(30-3)15-20(19)25(21)28/h4-8,14-15,18,21,24,27H,9-13,16H2,1-3H3/q+1/t18?,21-,24-,26?/m1/s1
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n/an/an/an/a 890n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

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
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/an/an/a 1.10E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM50037157
PNG
(3-(1-Benzyl-piperidin-4-yl)-1-(2,3,4,5-tetrahydro-...)
Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCCNc2c1
Show InChI InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2
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n/an/an/an/a 1.14E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117589
PNG
(1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydro...)
Show SMILES COc1cc2CC(C(O)C3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H32NO4/c1-26(16-17-7-5-4-6-8-17)11-9-18(10-12-26)24(27)21-13-19-14-22(29-2)23(30-3)15-20(19)25(21)28/h4-8,14-15,18,21,24,27H,9-13,16H2,1-3H3/q+1
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n/an/an/an/a 1.44E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117585
PNG
(1-Benzyl-4-[3-(5,6-dimethoxy-1-methyl-1H-indol-2-y...)
Show SMILES COc1cc2cc(C(=O)CCC3CC[N+](C)(Cc4ccccc4)CC3)n(C)c2cc1OC
Show InChI InChI=1S/C27H35N2O3/c1-28-23-18-27(32-4)26(31-3)17-22(23)16-24(28)25(30)11-10-20-12-14-29(2,15-13-20)19-21-8-6-5-7-9-21/h5-9,16-18,20H,10-15,19H2,1-4H3/q+1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117612
PNG
(4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-p...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H23FNO3S/c1-29-22-13-19-14-25(31-24(19)15-23(22)30-2)21(28)8-5-17-9-11-27(12-10-17)16-18-3-6-20(26)7-4-18/h3-4,6-7,9-15H,5,8,16H2,1-2H3/q+1
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n/an/an/an/a 1.65E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117617
PNG
(4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-p...)
Show SMILES COC(=O)c1ccc(C[n+]2ccc(CCC(=O)c3cc4cc(OC)c(OC)cc4s3)cc2)cc1
Show InChI InChI=1S/C27H26NO5S/c1-31-23-14-21-15-26(34-25(21)16-24(23)32-2)22(29)9-6-18-10-12-28(13-11-18)17-19-4-7-20(8-5-19)27(30)33-3/h4-5,7-8,10-16H,6,9,17H2,1-3H3/q+1
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n/an/an/an/a 1.67E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117591
PNG
(4-(3-Benzo[1,3]dioxol-5-yl-3-oxo-propyl)-1-benzyl-...)
Show SMILES C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H28NO3/c1-24(16-19-5-3-2-4-6-19)13-11-18(12-14-24)7-9-21(25)20-8-10-22-23(15-20)27-17-26-22/h2-6,8,10,15,18H,7,9,11-14,16-17H2,1H3/q+1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117623
PNG
(1-Cyclobutylmethyl-4-[3-(5,6-dimethoxy-benzo[b]thi...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](CC2CCC2)cc1
Show InChI InChI=1S/C23H26NO3S/c1-26-20-12-18-13-23(28-22(18)14-21(20)27-2)19(25)7-6-16-8-10-24(11-9-16)15-17-4-3-5-17/h8-14,17H,3-7,15H2,1-2H3/q+1
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n/an/an/an/a 1.72E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117593
PNG
(1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydro...)
Show SMILES COc1cc2CC(C(O)c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H24NO4/c1-28-21-13-18-12-20(24(27)19(18)14-22(21)29-2)23(26)17-8-10-25(11-9-17)15-16-6-4-3-5-7-16/h3-11,13-14,20,23,26H,12,15H2,1-2H3/q+1
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n/an/an/an/a 1.88E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117604
PNG
(4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-p...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](C)cc1
Show InChI InChI=1S/C19H20NO3S/c1-20-8-6-13(7-9-20)4-5-15(21)19-11-14-10-16(22-2)17(23-3)12-18(14)24-19/h6-12H,4-5H2,1-3H3/q+1
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n/an/an/an/a 2.50E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50366796
PNG
(CHEMBL609440)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccc(o2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H21N2O6S/c1-29-19-11-16-12-22(32-21(16)13-20(19)30-2)18(26)5-3-15-7-9-24(10-8-15)14-17-4-6-23(31-17)25(27)28/h4,6-13H,3,5,14H2,1-2H3/q+1
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n/an/an/an/a 2.67E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117575
PNG
(1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydro...)
Show InChI InChI=1S/C25H32NO4/c1-26(16-17-7-5-4-6-8-17)11-9-18(10-12-26)24(27)21-13-19-14-22(29-2)23(30-3)15-20(19)25(21)28/h4-8,14-15,18,21,24,27H,9-13,16H2,1-3H3/q+1/t18?,21-,24+,26?/m1/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117614
PNG
(4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-p...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccsc2)cc1
Show InChI InChI=1S/C23H22NO3S2/c1-26-20-11-18-12-23(29-22(18)13-21(20)27-2)19(25)4-3-16-5-8-24(9-6-16)14-17-7-10-28-15-17/h5-13,15H,3-4,14H2,1-2H3/q+1
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n/an/an/an/a 2.70E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117578
PNG
(1-Benzyl-4-[3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-...)
Show SMILES C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C24H30NO3/c1-25(18-20-5-3-2-4-6-20)13-11-19(12-14-25)7-9-22(26)21-8-10-23-24(17-21)28-16-15-27-23/h2-6,8,10,17,19H,7,9,11-16,18H2,1H3/q+1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117596
PNG
(1-Cyclopropylmethyl-4-[3-(5,6-dimethoxy-benzo[b]th...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](CC2CC2)cc1
Show InChI InChI=1S/C22H24NO3S/c1-25-19-11-17-12-22(27-21(17)13-20(19)26-2)18(24)6-5-15-7-9-23(10-8-15)14-16-3-4-16/h7-13,16H,3-6,14H2,1-2H3/q+1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117603
PNG
(1-Allyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl)...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](CC=C)cc1
Show InChI InChI=1S/C21H22NO3S/c1-4-9-22-10-7-15(8-11-22)5-6-17(23)21-13-16-12-18(24-2)19(25-3)14-20(16)26-21/h4,7-8,10-14H,1,5-6,9H2,2-3H3/q+1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117605
PNG
(4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-p...)
Show SMILES CC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1
Show InChI InChI=1S/C20H22NO3S/c1-4-21-9-7-14(8-10-21)5-6-16(22)20-12-15-11-17(23-2)18(24-3)13-19(15)25-20/h7-13H,4-6H2,1-3H3/q+1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117600
PNG
(1-Benzyl-4-[5-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CC(O)CCC1CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H36NO4S/c1-29(19-21-7-5-4-6-8-21)13-11-20(12-14-29)9-10-23(30)17-24(31)28-16-22-15-25(32-2)26(33-3)18-27(22)34-28/h4-8,15-16,18,20,23,30H,9-14,17,19H2,1-3H3/q+1
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n/an/an/an/a 6.60E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117616
PNG
(1-Benzyl-4-[2-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)C=C1CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28NO3S/c1-26(17-19-7-5-4-6-8-19)11-9-18(10-12-26)13-21(27)25-15-20-14-22(28-2)23(29-3)16-24(20)30-25/h4-8,13-16H,9-12,17H2,1-3H3/q+1/b18-13-
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n/an/an/an/a 7.67E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117608
PNG
(1-Benzyl-4-[2-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show InChI InChI=1S/C25H30NO4S.BrH/c1-26(17-18-7-5-4-6-8-18)11-9-25(28,10-12-26)16-20(27)24-14-19-13-21(29-2)22(30-3)15-23(19)31-24;/h4-8,13-15,28H,9-12,16-17H2,1-3H3;1H/q+1;/p-1
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n/an/an/an/a 9.43E+3n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117606
PNG
(1-Benzyl-4-[5-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCCCC1CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H36NO3S/c1-29(20-22-10-5-4-6-11-22)15-13-21(14-16-29)9-7-8-12-24(30)28-18-23-17-25(31-2)26(32-3)19-27(23)33-28/h4-6,10-11,17-19,21H,7-9,12-16,20H2,1-3H3/q+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117573
PNG
(14,16-dimethyl-14-azonia-6-azatetracyclo[7.5.3.01,...)
Show SMILES C[NH+]1CCCC2C3Cc4[nH]c(=O)ccc4C12CC(C)=C3
Show InChI InChI=1S/C17H22N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3,(H,18,20)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117607
PNG
(1-Benzyl-4-[2-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CC1=CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28NO3S/c1-26(17-19-7-5-4-6-8-19)11-9-18(10-12-26)13-21(27)25-15-20-14-22(28-2)23(29-3)16-24(20)30-25/h4-9,14-16H,10-13,17H2,1-3H3/q+1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117610
PNG
(1-Benzyl-4-[(5,6-dimethoxy-benzo[b]thiophen-2-yl)-...)
Show SMILES COc1cc2cc(sc2cc1OC)C(O)C1CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H30NO3S/c1-25(16-17-7-5-4-6-8-17)11-9-18(10-12-25)24(26)23-14-19-13-20(27-2)21(28-3)15-22(19)29-23/h4-8,13-15,18,24,26H,9-12,16H2,1-3H3/q+1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117621
PNG
(1-Benzyl-4-(5,6-dimethoxy-benzo[b]thiophen-2-ylmet...)
Show SMILES COc1cc2cc(CC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC
Show InChI InChI=1S/C24H30NO2S/c1-25(17-19-7-5-4-6-8-19)11-9-18(10-12-25)13-21-14-20-15-22(26-2)23(27-3)16-24(20)28-21/h4-8,14-16,18H,9-13,17H2,1-3H3/q+1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117601
PNG
(1-Benzyl-4-(5,6-dimethoxy-benzo[b]thiophen-2-ylmet...)
Show SMILES COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC
Show InChI InChI=1S/C24H28NO2S/c1-25(17-19-7-5-4-6-8-19)11-9-18(10-12-25)13-21-14-20-15-22(26-2)23(27-3)16-24(20)28-21/h4-8,13-16H,9-12,17H2,1-3H3/q+1/b18-13-
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n/an/an/an/a>3.00E+4n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117586
PNG
(1,1-Dibenzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-h...)
Show SMILES COc1cc2CC(C(O)C3CC[N+](Cc4ccccc4)(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C31H36NO4/c1-35-28-18-25-17-27(31(34)26(25)19-29(28)36-2)30(33)24-13-15-32(16-14-24,20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-12,18-19,24,27,30,33H,13-17,20-21H2,1-2H3/q+1
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n/an/an/an/a 4.35E+4n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)

More data for this
Ligand-Target Pair