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Compile Data Set for Download or QSAR

Found 457 hits Enz. Inhib. hit(s) with Target = 'Nicotinic acetylcholine receptor alpha4/beta2/alpha5'   
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 subunit alpha-4


(Homo sapiens (human))
BDBM50187442
PNG
(1-(6-bromo-5-(vinyloxy)pyridin-3-yl)-1,5-diazocane...)
Show SMILES Brc1ncc(cc1OC=C)N1CCCNCCC1
Show InChI InChI=1S/C13H18BrN3O/c1-2-18-12-9-11(10-16-13(12)14)17-7-3-5-15-6-4-8-17/h2,9-10,15H,1,3-8H2
PDB

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PubMed
n/an/a 0.380n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187445
PNG
(1-(6-bromopyridin-3-yl)-1,5-diazocane | 1-(6-bromo...)
Show SMILES Brc1ccc(cn1)N1CCCNCCC1
Show InChI InChI=1S/C11H16BrN3/c12-11-4-3-10(9-14-11)15-7-1-5-13-6-2-8-15/h3-4,9,13H,1-2,5-8H2
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PubMed
n/an/a 0.447n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187455
PNG
(1-(6-Bromo-5-vinylpyridin-3-yl)-[1,4]diazepane | 1...)
Show SMILES Brc1ncc(cc1OC=C)N1CCCNCC1
Show InChI InChI=1S/C12H16BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h2,8-9,14H,1,3-7H2
PDB

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PubMed
n/an/a 0.646n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088456
PNG
(1-(6-Chloro-5-methoxy-pyridin-3-yl)-[1,4]diazepane...)
Show SMILES COc1cc(cnc1Cl)N1CCCNCC1
Show InChI InChI=1S/C11H16ClN3O/c1-16-10-7-9(8-14-11(10)12)15-5-2-3-13-4-6-15/h7-8,13H,2-6H2,1H3
PDB

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PubMed
n/an/a 0.676n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088453
PNG
(1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...)
Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1
Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3
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PubMed
n/an/a 0.871n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187447
PNG
(1-(pyridin-3-yl)-1,5-diazocane | 1-pyridin-3-yl-[1...)
Show SMILES C1CNCCCN(C1)c1cccnc1
Show InChI InChI=1S/C11H17N3/c1-4-11(10-13-5-1)14-8-2-6-12-7-3-9-14/h1,4-5,10,12H,2-3,6-9H2
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PubMed
n/an/a 0.891n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088454
PNG
(1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...)
Show SMILES Brc1ccc(cn1)N1CCCNCC1
Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
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n/an/a 1n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187439
PNG
(1-(5-Methoxypyridin-3-yl)-[1,5]diazocane | 1-(5-me...)
Show SMILES COc1cncc(c1)N1CCCNCCC1
Show InChI InChI=1S/C12H19N3O/c1-16-12-8-11(9-14-10-12)15-6-2-4-13-5-3-7-15/h8-10,13H,2-7H2,1H3
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n/an/a 1n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187438
PNG
((Z)-1-(5-(prop-1-enyloxy)pyridin-3-yl)-1,4-diazepa...)
Show SMILES C\C=C/Oc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C13H19N3O/c1-2-8-17-13-9-12(10-15-11-13)16-6-3-4-14-5-7-16/h2,8-11,14H,3-7H2,1H3/b8-2-
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n/an/a 1.29n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187453
PNG
(1-(6-bromo-5-chloropyridin-3-yl)-1,4-diazepane | 1...)
Show SMILES Clc1cc(cnc1Br)N1CCCNCC1
Show InChI InChI=1S/C10H13BrClN3/c11-10-9(12)6-8(7-14-10)15-4-1-2-13-3-5-15/h6-7,13H,1-5H2
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n/an/a 1.41n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187441
PNG
(1-(5-bromo-6-chloropyridin-3-yl)-1,4-diazepane | 4...)
Show SMILES Clc1ncc(cc1Br)N1CCCNCC1
Show InChI InChI=1S/C10H13BrClN3/c11-9-6-8(7-14-10(9)12)15-4-1-2-13-3-5-15/h6-7,13H,1-5H2
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n/an/a 1.41n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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n/an/a 1.51n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088438
PNG
(1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...)
Show SMILES C1CNCCN(C1)c1cccnc1
Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2
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PubMed
n/an/a 1.91n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088457
PNG
(1-(5-Methoxy-pyridin-3-yl)-[1,4]diazepane | 1-(5-m...)
Show SMILES COc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C11H17N3O/c1-15-11-7-10(8-13-9-11)14-5-2-3-12-4-6-14/h7-9,12H,2-6H2,1H3
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n/an/a 1.91n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187437
PNG
(1-(5-chloropyridin-3-yl)-1,5-diazocane | 1-(5-chlo...)
Show SMILES Clc1cncc(c1)N1CCCNCCC1
Show InChI InChI=1S/C11H16ClN3/c12-10-7-11(9-14-8-10)15-5-1-3-13-4-2-6-15/h7-9,13H,1-6H2
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n/an/a 2n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088443
PNG
(1-(5-(2-methoxyethoxy)pyridin-3-yl)-1,4-diazepane ...)
Show SMILES COCCOc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C13H21N3O2/c1-17-7-8-18-13-9-12(10-15-11-13)16-5-2-3-14-4-6-16/h9-11,14H,2-8H2,1H3
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n/an/a 2.40n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088448
PNG
(5-(1,4-diazepan-1-yl)pyridin-3-ol | 5-[1,4]Diazepa...)
Show SMILES Oc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C10H15N3O/c14-10-6-9(7-12-8-10)13-4-1-2-11-3-5-13/h6-8,11,14H,1-5H2
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n/an/a 2.40n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187454
PNG
(1-(5-Bromopyridin-3-yl)-[1,5]diazocane | 1-(5-brom...)
Show SMILES Brc1cncc(c1)N1CCCNCCC1
Show InChI InChI=1S/C11H16BrN3/c12-10-7-11(9-14-8-10)15-5-1-3-13-4-2-6-15/h7-9,13H,1-6H2
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n/an/a 2.82n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088451
PNG
(3-(5-Methoxy-pyridin-3-yl)-9-aza-bicyclo[3.3.1]non...)
Show SMILES COc1cncc(c1)C1=CC2CCCC(C1)N2
Show InChI InChI=1S/C14H18N2O/c1-17-14-7-11(8-15-9-14)10-5-12-3-2-4-13(6-10)16-12/h5,7-9,12-13,16H,2-4,6H2,1H3
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n/an/a 3.02n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088452
PNG
(3-(pyridin-3-yl)-9-azabicyclo[3.3.1]non-2-ene | 3-...)
Show SMILES C1CC2CC(=CC(C1)N2)c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-4-12-7-11(8-13(5-1)15-12)10-3-2-6-14-9-10/h2-3,6-7,9,12-13,15H,1,4-5,8H2
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n/an/a 4.47n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088450
PNG
(1-(5-(vinyloxy)pyridin-3-yl)-1,4-diazepane | 1-(5-...)
Show SMILES C=COc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C12H17N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h2,8-10,13H,1,3-7H2
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n/an/a 5.01n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50413479
PNG
(CHEMBL500726)
Show SMILES C1CNCCN(C1)c1cnc2ccccc2c1
Show InChI InChI=1S/C14H17N3/c1-2-5-14-12(4-1)10-13(11-16-14)17-8-3-6-15-7-9-17/h1-2,4-5,10-11,15H,3,6-9H2
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n/an/a 6.61n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088458
PNG
(3-(pyridin-3-yl)-8-azabicyclo[3.2.1]oct-3-ene | 3-...)
Show SMILES C1CC2NC1CC(=C2)c1cccnc1
Show InChI InChI=1S/C12H14N2/c1-2-9(8-13-5-1)10-6-11-3-4-12(7-10)14-11/h1-2,5-6,8,11-12,14H,3-4,7H2
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PubMed
n/an/a 6.76n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
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+/m0/s1
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PubMed
n/an/a 11n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


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


(Homo sapiens (human))
BDBM50088432
PNG
(5-(1,4-diazepan-1-yl)nicotinamide | 5-[1,4]Diazepa...)
Show SMILES NC(=O)c1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C11H16N4O/c12-11(16)9-6-10(8-14-7-9)15-4-1-2-13-3-5-15/h6-8,13H,1-5H2,(H2,12,16)
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n/an/a 19.9n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187459
PNG
(5-(1,4-diazepan-1-yl)-2-iodopyridin-3-ol | 5-[1,4]...)
Show SMILES Oc1cc(cnc1I)N1CCCNCC1
Show InChI InChI=1S/C10H14IN3O/c11-10-9(15)6-8(7-13-10)14-4-1-2-12-3-5-14/h6-7,12,15H,1-5H2
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n/an/a 21.9n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088442
PNG
(3-(Pyrrolidin-3-yloxy)-pyridine | 3-(pyrrolidin-3-...)
Show SMILES C1CC(CN1)Oc1cccnc1
Show InChI InChI=1S/C9H12N2O/c1-2-8(6-10-4-1)12-9-3-5-11-7-9/h1-2,4,6,9,11H,3,5,7H2
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n/an/a 100n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088445
PNG
(1-(6-Methoxy-pyridin-3-yl)-[1,4]diazepane | 1-(6-m...)
Show SMILES COc1ccc(cn1)N1CCCNCC1
Show InChI InChI=1S/C11H17N3O/c1-15-11-4-3-10(9-13-11)14-7-2-5-12-6-8-14/h3-4,9,12H,2,5-8H2,1H3
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n/an/a 170n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088434
PNG
(1-(6-(ethylthio)pyridin-3-yl)-1,4-diazepane | 1-(6...)
Show SMILES CCSc1ccc(cn1)N1CCCNCC1
Show InChI InChI=1S/C12H19N3S/c1-2-16-12-5-4-11(10-14-12)15-8-3-6-13-7-9-15/h4-5,10,13H,2-3,6-9H2,1H3
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n/an/a 170n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187436
PNG
(1-(6-Bromopyridin-3-yl)-piperazine | 1-(6-bromopyr...)
Show SMILES Brc1ccc(cn1)N1CCNCC1
Show InChI InChI=1S/C9H12BrN3/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
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n/an/a 182n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187448
PNG
(1-(6-bromo-5-methoxypyridin-3-yl)piperazine | CHEM...)
Show SMILES COc1cc(cnc1Br)N1CCNCC1
Show InChI InChI=1S/C10H14BrN3O/c1-15-9-6-8(7-13-10(9)11)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3
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n/an/a 182n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187434
PNG
(1-(5-(vinyloxy)pyridin-3-yl)piperazine | 1-(5-(vin...)
Show SMILES C=COc1cncc(c1)N1CCNCC1
Show InChI InChI=1S/C11H15N3O/c1-2-15-11-7-10(8-13-9-11)14-5-3-12-4-6-14/h2,7-9,12H,1,3-6H2
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n/an/a 191n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088431
PNG
(3-(Piperidin-3-yloxy)-pyridine | 3-(piperidin-3-yl...)
Show SMILES C1CNCC(C1)Oc1cccnc1
Show InChI InChI=1S/C10H14N2O/c1-3-9(7-11-5-1)13-10-4-2-6-12-8-10/h1,3,5,7,10,12H,2,4,6,8H2
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n/an/a 191n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50267844
PNG
(3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylox...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1
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n/an/a 210n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as inhibition of acetylcholine-evoked current


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


(Homo sapiens (human))
BDBM50187433
PNG
(1-(5-bromo-6-chloropyridin-3-yl)piperazine | CHEMB...)
Show SMILES Clc1ncc(cc1Br)N1CCNCC1
Show InChI InChI=1S/C9H11BrClN3/c10-8-5-7(6-13-9(8)11)14-3-1-12-2-4-14/h5-6,12H,1-4H2
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n/an/a 229n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50187449
PNG
((+/-)-3-chloro-5-(piperidin-3-yloxy)-pyridine | 3-...)
Show SMILES Clc1cncc(OC2CCCNC2)c1
Show InChI InChI=1S/C10H13ClN2O/c11-8-4-10(7-13-5-8)14-9-2-1-3-12-6-9/h4-5,7,9,12H,1-3,6H2
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n/an/a 240n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50088449
PNG
(1-(5-Chloro-pyridin-3-yl)-piperazine | 1-(5-chloro...)
Show SMILES Clc1cncc(c1)N1CCNCC1
Show InChI InChI=1S/C9H12ClN3/c10-8-5-9(7-12-6-8)13-3-1-11-2-4-13/h5-7,11H,1-4H2
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n/an/a 309n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50267883
PNG
(8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d]cyclohept...)
Show SMILES C(N1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2
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n/an/a 460n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as inhibition of acetylcholine-evoked current


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


(Homo sapiens (human))
BDBM50187451
PNG
(1-(5-chloro-6-methylpyridin-3-yl)piperazine | CHEM...)
Show SMILES Cc1ncc(cc1Cl)N1CCNCC1
Show InChI InChI=1S/C10H14ClN3/c1-8-10(11)6-9(7-13-8)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3
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n/an/a 525n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50416396
PNG
(CHEMBL1210703)
Show SMILES Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)c(C)c1
Show InChI InChI=1S/C23H24N2O2S/c1-16-8-9-20(17(2)14-16)24-22(26)21-15-19(18-6-4-3-5-7-18)23(28-21)25-10-12-27-13-11-25/h3-9,14-15H,10-13H2,1-2H3,(H,24,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4 nAChR in human IMR32 cells


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


(Homo sapiens (human))
BDBM50413330
PNG
(CHEMBL459689)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1
Show InChI InChI=1S/C22H27N3O/c1-23-13-10-18-14-17(7-9-21(18)23)6-8-20-15-19(22(26)24(20)2)16-25-11-4-3-5-12-25/h7,9-10,13-14,19-20H,3-5,11-12,15-16H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells by calcium influx assay


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


(Homo sapiens (human))
BDBM50413331
PNG
(CHEMBL459900)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2occc2c1
Show InChI InChI=1S/C21H24N2O2/c1-22-19(7-5-16-6-8-20-17(13-16)9-12-25-20)14-18(21(22)24)15-23-10-3-2-4-11-23/h6,8-9,12-13,18-19H,2-4,10-11,14-15H2,1H3
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n/an/a 5.01E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (human))
BDBM50433569
PNG
(CHEMBL2381563)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


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


(Homo sapiens (human))
BDBM50247983
PNG
(CHEMBL454407 | cis-1-methyl-5-(phenylethynyl)-3-(p...)
Show SMILES CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-20-18(11-10-16-8-4-2-5-9-16)14-17(19(20)22)15-21-12-6-3-7-13-21/h2,4-5,8-9,17-18H,3,6-7,12-15H2,1H3/t17-,18-/m1/s1
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n/an/a 7.94E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells by calcium influx assay


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


(Homo sapiens (human))
BDBM50413332
PNG
(CHEMBL503427)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2OCCc2c1
Show InChI InChI=1S/C21H26N2O2/c1-22-19(7-5-16-6-8-20-17(13-16)9-12-25-20)14-18(21(22)24)15-23-10-3-2-4-11-23/h6,8,13,18-19H,2-4,9-12,14-15H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (human))
BDBM50433566
PNG
(CHEMBL2381566)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1
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n/an/a 1.78E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


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


(Homo sapiens (human))
BDBM50248045
PNG
((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...)
Show SMILES C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F
Show InChI InChI=1S/C16H21FN2O2/c1-11(13-4-2-3-5-14(13)17)21-16(20)18-15-10-19-8-6-12(15)7-9-19/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,15+/m0/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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n/an/a 5.23E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (human))
BDBM50433573
PNG
(CHEMBL2381570)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1
Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/m0/s1
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n/an/a 4.80E+5n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


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


(Homo sapiens (human))
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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0.0100n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)

More data for this
Ligand-Target Pair
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