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Compile Data Set for Download or QSAR

Found 12 hits of ec50 data for polymerid = 50002320,50002857   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholine receptor


(Torpedo californica)
BDBM50061563
PNG
(4-Acetyl-1,1-dimethyl-1,2,3,6-tetrahydro-pyridiniu...)
Show SMILES CC(=O)C1=CC[N+](C)(C)CC1
Show InChI InChI=1S/C9H16NO/c1-8(11)9-4-6-10(2,3)7-5-9/h4H,5-7H2,1-3H3/q+1
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n/an/an/an/a 100n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potency and efficacy at human muscle type Nicotinic acetylcholine receptor in TE671 cells


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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n/an/an/an/a 200n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50369150
PNG
(CHEMBL1788226)
Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m1/s1
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n/an/an/an/a 8.00E+3n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha3-beta4 cell lines of HUman embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50049756
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...)
Show SMILES CN1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1
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n/an/an/an/a 1.90E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potency and efficacy at human Nicotinic acetylcholine receptor ganglionic type on IMR-32 cells


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50056147
PNG
(2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...)
Show SMILES Cc1ncccc1OC[C@@H]1CCCN1
Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50369150
PNG
(CHEMBL1788226)
Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m1/s1
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n/an/an/an/a 3.10E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha3-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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n/an/an/an/a 1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/an/an/a 1.60E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 4.11E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50061561
PNG
(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
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n/an/an/an/a>1.00E+6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50061562
PNG
((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1
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n/an/an/an/a 2.00E+6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)


Citation and Details
More data for this
Ligand-Target Pair