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Compile Data Set for Download or QSAR

Found 19 hits of ec50 data for complexid = 50000006   
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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 14n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 16n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Nicotinic Acetylcholine Receptor was determined by measuring the displacement of [3H]-cytisine from a preparation of whole r...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 17n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Functional potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50023330
PNG
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
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n/an/an/an/a 48n/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 IMR-32 (ganglionic)


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50100715
PNG
(2-(6-Bromo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hepta...)
Show SMILES Brc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13BrN2/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 94n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50100707
PNG
((R)-2-(6-Fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...)
Show SMILES Fc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13FN2/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 254n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 370n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Nicotinic Acetylcholine Receptor was determined by measuring the displacement of [3H]-cytisine from a preparation of whole r...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 590n/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
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 700n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 730n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Functional potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 1.00E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against rat alpha4-beta2 nicotinic acetylcholinereceptor


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50100717
PNG
(2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...)
Show SMILES C1CC2NC1CC2c1cccnc1
Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2
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n/an/an/an/a 3.63E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 4.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha4-beta2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 6.00E+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 alpha4-beta2


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50100713
PNG
(5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-ylamin...)
Show SMILES Nc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H15N3/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,(H2,12,13)
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n/an/an/an/a 7.60E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 1.00E+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 alpha4-beta2


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 8.70E+4n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50170270
PNG
(CHEMBL182530 | S(-)nicotine-B)
Show SMILES CN1CCC[C@H]1c1ccc[n+](BC#N)c1
Show InChI InChI=1S/C11H15BN3/c1-14-6-3-5-11(14)10-4-2-7-15(8-10)12-9-13/h2,4,7-8,11-12H,3,5-6H2,1H3/q+1/t11-/m0/s1
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n/an/an/an/a 1.50E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against rat alpha4-beta2 nicotinic acetylcholinereceptor


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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 2.70E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potency and efficacy at human Nicotinic acetylcholine receptor alpha4-beta2


Citation and Details
More data for this
Ligand-Target Pair