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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
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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


J Med Chem 52: 2311-6 (2009)

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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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


J Med Chem 52: 2311-6 (2009)

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
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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


J Med Chem 52: 2311-6 (2009)

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
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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


J Med Chem 52: 2311-6 (2009)

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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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


J Med Chem 52: 2311-6 (2009)

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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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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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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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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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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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


J Med Chem 52: 2311-6 (2009)

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


(Homo sapiens (human)-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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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...


Bioorg Med Chem 21: 2687-94 (2013)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2372-83 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


J Med Chem 52: 2372-83 (2009)

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


J Med Chem 52: 2311-6 (2009)

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


Bioorg Med Chem Lett 20: 4561-5 (2010)

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


Bioorg Med Chem Lett 19: 1287-91 (2009)

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


Bioorg Med Chem Lett 19: 1287-91 (2009)

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


(Homo sapiens (human)-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...


Bioorg Med Chem 21: 2687-94 (2013)

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


Bioorg Med Chem Lett 19: 1287-91 (2009)

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


Bioorg Med Chem Lett 19: 1287-91 (2009)

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


(Homo sapiens (human)-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...


Bioorg Med Chem 21: 2687-94 (2013)

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


Bioorg Med Chem Lett 19: 1287-91 (2009)

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


(Homo sapiens (human)-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...


Bioorg Med Chem 21: 2687-94 (2013)

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


(Homo sapiens (human)-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...


Bioorg Med Chem 21: 2687-94 (2013)

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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