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Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with Target = 'Nicotinic acetylcholine receptor alpha6/alpha3/beta4' AND taxid = 9606   
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
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(HUMAN)
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407)
Show SMILES O=c1cccc2C3CNCC(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
PDB
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PubMed
176n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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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220n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254482
PNG
(3-(dimethylamino)butyl benzyl(methyl)carbamate | C...)
Show SMILES CC(CCOC(=O)N(C)Cc1ccccc1)N(C)C
Show InChI InChI=1S/C15H24N2O2/c1-13(16(2)3)10-11-19-15(18)17(4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
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1.59E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254486
PNG
(3-(dimethylamino)butyl 2-hydroxyethylcarbamate | C...)
Show SMILES CC(CCOC(=O)NCCO)N(C)C
Show InChI InChI=1S/C9H20N2O3/c1-8(11(2)3)4-7-14-9(13)10-5-6-12/h8,12H,4-7H2,1-3H3,(H,10,13)
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2.20E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50096712
PNG
(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1
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2.30E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254483
PNG
(3-(dimethylamino)butyl carbamate | CHEMBL449334)
Show SMILES CC(CCOC(N)=O)N(C)C
Show InChI InChI=1S/C7H16N2O2/c1-6(9(2)3)4-5-11-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
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3.16E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254485
PNG
(3-(dimethylamino)butyl propylcarbamate | CHEMBL466...)
Show SMILES CCCNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H22N2O2/c1-5-7-11-10(13)14-8-6-9(2)12(3)4/h9H,5-8H2,1-4H3,(H,11,13)
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5.01E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254542
PNG
(CHEMBL468903 | O-3-(dimethylamino)butyl dimethylca...)
Show SMILES CC(CCOC(=S)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2OS/c1-8(10(2)3)6-7-12-9(13)11(4)5/h8H,6-7H2,1-5H3
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5.01E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254541
PNG
(5-(dimethylamino)-N,N-dimethylhex-2-enamide | CHEM...)
Show SMILES CC(C\C=C\C(=O)N(C)C)N(C)C
Show InChI InChI=1S/C10H20N2O/c1-9(11(2)3)7-6-8-10(13)12(4)5/h6,8-9H,7H2,1-5H3/b8-6+
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6.30E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254484
PNG
(3-(dimethylamino)butyl ethylcarbamate | CHEMBL4516...)
Show SMILES CCNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-5-10-9(12)13-7-6-8(2)11(3)4/h8H,5-7H2,1-4H3,(H,10,12)
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1.26E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254605
PNG
(3-(dimethylamino)butyl methyl(phenyl)carbamate | C...)
Show SMILES CC(CCOC(=O)N(C)c1ccccc1)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-12(15(2)3)10-11-18-14(17)16(4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
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1.26E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254480
PNG
(3-(dimethylamino)butyl 4-chlorophenyl(methyl)carba...)
Show SMILES CC(CCOC(=O)N(C)c1ccc(Cl)cc1)N(C)C
Show InChI InChI=1S/C14H21ClN2O2/c1-11(16(2)3)9-10-19-14(18)17(4)13-7-5-12(15)6-8-13/h5-8,11H,9-10H2,1-4H3
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1.26E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254604
PNG
(3-(dimethylamino)butyl 2-hydroxyethyl(methyl)carba...)
Show SMILES CC(CCOC(=O)N(C)CCO)N(C)C
Show InChI InChI=1S/C10H22N2O3/c1-9(11(2)3)5-8-15-10(14)12(4)6-7-13/h9,13H,5-8H2,1-4H3
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1.58E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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1.60E+4n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254481
PNG
(3-(dimethylamino)butyl 4-cyanophenyl(methyl)carbam...)
Show SMILES CC(CCOC(=O)N(C)c1ccc(cc1)C#N)N(C)C
Show InChI InChI=1S/C15H21N3O2/c1-12(17(2)3)9-10-20-15(19)18(4)14-7-5-13(11-16)6-8-14/h5-8,12H,9-10H2,1-4H3
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2.50E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254540
PNG
(5-(dimethylamino)-N-methylhex-2-enamide | CHEMBL50...)
Show SMILES CNC(=O)\C=C\CC(C)N(C)C
Show InChI InChI=1S/C9H18N2O/c1-8(11(3)4)6-5-7-9(12)10-2/h5,7-8H,6H2,1-4H3,(H,10,12)/b7-5+
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2.51E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254603
PNG
(3-(dimethylamino)-3-phenylpropyl dimethylcarbamate...)
Show SMILES CN(C)C(CCOC(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C14H22N2O2/c1-15(2)13(12-8-6-5-7-9-12)10-11-18-14(17)16(3)4/h5-9,13H,10-11H2,1-4H3
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3.50E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254543
PNG
(3-(dimethylamino)butyl 3-phenylpropylcarbamate | C...)
Show SMILES CC(CCOC(=O)NCCCc1ccccc1)N(C)C
Show InChI InChI=1S/C16H26N2O2/c1-14(18(2)3)11-13-20-16(19)17-12-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,17,19)
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3.98E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254602
PNG
(3-(dimethylamino)-3-(thiophen-3-yl)propyl dimethyl...)
Show SMILES CN(C)C(CCOC(=O)N(C)C)c1ccsc1
Show InChI InChI=1S/C12H20N2O2S/c1-13(2)11(10-6-8-17-9-10)5-7-16-12(15)14(3)4/h6,8-9,11H,5,7H2,1-4H3
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3.98E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254601
PNG
(3-cyclopropyl-3-(dimethylamino)propyl dimethylcarb...)
Show SMILES CN(C)C(CCOC(=O)N(C)C)C1CC1
Show InChI InChI=1S/C11H22N2O2/c1-12(2)10(9-5-6-9)7-8-15-11(14)13(3)4/h9-10H,5-8H2,1-4H3
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4.00E+4n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50449636
PNG
(BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...)
Show SMILES CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1nn(C)c2ccccc12
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+
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6.70E+4n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254597
PNG
(CHEMBL480797 | S-3-(dimethylamino)butyl dimethylca...)
Show SMILES CC(CCSC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2OS/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
PDB

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1.00E+5n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254600
PNG
(3-(dimethylamino)-4-hydroxybutyl dimethylcarbamate...)
Show SMILES CN(C)C(CO)CCOC(=O)N(C)C
Show InChI InChI=1S/C9H20N2O3/c1-10(2)8(7-12)5-6-14-9(13)11(3)4/h8,12H,5-7H2,1-4H3
PDB

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1.00E+5n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254539
PNG
(5-(dimethylamino)-N,N-dimethylhexanamide | CHEMBL4...)
Show SMILES CC(CCCC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C10H22N2O/c1-9(11(2)3)7-6-8-10(13)12(4)5/h9H,6-8H2,1-5H3
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3.16E+5n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254599
PNG
(1-(3-(dimethylamino)butyl)-3-phenylurea | CHEMBL44...)
Show SMILES CC(CCNC(=O)Nc1ccccc1)N(C)C
Show InChI InChI=1S/C13H21N3O/c1-11(16(2)3)9-10-14-13(17)15-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H2,14,15,17)
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1.00E+6n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50254598
PNG
(3-(3-(dimethylamino)butyl)-1,1-dimethylurea | CHEM...)
Show SMILES CC(CCNC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H21N3O/c1-8(11(2)3)6-7-10-9(13)12(4)5/h8H,6-7H2,1-5H3,(H,10,13)
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1.00E+6n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50445330
PNG
(CHEMBL3104243)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2)C(C)C
Show InChI InChI=1S/C54H82N14O16S4/c1-25(2)17-31-45(75)59-32(18-29-11-13-30(71)14-12-29)46(76)62-34(43(56)73)21-85-87-24-37-50(80)61-33(20-69)47(77)66-42(28(6)70)54(84)68-16-8-10-39(68)53(83)67-15-7-9-38(67)51(81)64-36(23-88-86-22-35(49(79)63-37)58-40(72)19-55)48(78)57-27(5)44(74)65-41(26(3)4)52(82)60-31/h11-14,25-28,31-39,41-42,69-71H,7-10,15-24,55H2,1-6H3,(H2,56,73)(H,57,78)(H,58,72)(H,59,75)(H,60,82)(H,61,80)(H,62,76)(H,63,79)(H,64,81)(H,65,74)(H,66,77)/t27-,28+,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of rat alpha6/alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiol...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50329578
PNG
((-)-9-Bromocytisine | (1R,5S)-9-Bromo-1,2,3,4,5,6-...)
Show SMILES Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O
Show InChI InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2
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n/an/a 15.6n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens-HUMAN)
BDBM50445325
PNG
(CHEMBL3104238)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)[C@@H](C)O)C(C)C
Show InChI InChI=1S/C79H125N27O25S4/c1-8-36(6)59-74(127)96-46(61(84)114)29-132-133-30-47-66(119)95-45(28-107)65(118)94-43(25-55(83)111)77(130)106-22-12-16-52(106)71(124)100-57(34(2)3)73(126)99-49(32-135-134-31-48(67(120)97-47)98-70(123)51-15-11-21-105(51)78(131)44(26-56(112)113)92-62(115)39(80)13-9-19-88-79(85)86)68(121)103-60(37(7)108)75(128)101-58(35(4)5)72(125)91-41(23-38-27-87-33-89-38)64(117)93-42(24-54(82)110)76(129)104-20-10-14-50(104)69(122)90-40(63(116)102-59)17-18-53(81)109/h27,33-37,39-52,57-60,107-108H,8-26,28-32,80H2,1-7H3,(H2,81,109)(H2,82,110)(H2,83,111)(H2,84,114)(H,87,89)(H,90,122)(H,91,125)(H,92,115)(H,93,117)(H,94,118)(H,95,119)(H,96,127)(H,97,120)(H,98,123)(H,99,126)(H,100,124)(H,101,128)(H,102,116)(H,103,121)(H,112,113)(H4,85,86,88)/t36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha6alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp elec...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50445331
PNG
(CHEMBL3104245)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2
Show InChI InChI=1S/C58H92N18O18S5/c1-7-28(4)44-56(92)70-36(45(60)81)22-96-98-24-38-51(87)68-34(20-78)49(85)66-32(16-30-18-61-26-62-30)57(93)75-13-8-10-40(75)53(89)73-43(27(2)3)55(91)72-39(25-99-97-23-37(50(86)71-38)64-42(80)17-59)52(88)67-33(19-77)48(84)63-29(5)46(82)65-31(12-15-95-6)47(83)69-35(21-79)58(94)76-14-9-11-41(76)54(90)74-44/h18,26-29,31-41,43-44,77-79H,7-17,19-25,59H2,1-6H3,(H2,60,81)(H,61,62)(H,63,84)(H,64,80)(H,65,82)(H,66,85)(H,67,88)(H,68,87)(H,69,83)(H,70,92)(H,71,86)(H,72,91)(H,73,89)(H,74,90)/t28-,29-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-,44-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of rat alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current after 2 to 4 days by vol...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50445324
PNG
(CHEMBL3104237)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2
Show InChI InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-44(56(74)105)27-120-122-30-47-65(114)88-43(26-95)62(111)87-42(23-54(103)104)70(119)94-18-6-8-48(94)66(115)81-36(7-4-16-78-71(75)76)57(106)90-46(29-123-121-28-45(63(112)91-47)80-51(98)24-72)64(113)84-39(21-50(73)97)60(109)83-38(19-33-10-12-35(96)13-11-33)59(108)85-40(22-53(101)102)61(110)86-41(20-34-25-77-31-79-34)69(118)93-17-5-9-49(93)67(116)82-37(58(107)92-55)14-15-52(99)100/h10-13,25,31-32,36-49,55,95-96H,3-9,14-24,26-30,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,79)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,78)/t32-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Antagonist activity at Sprague-Dawley rat alpha6/alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by volt...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50416397
PNG
(CHEMBL1210515)
Show SMILES O=C(Cn1nc(cc(Cc2ccco2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1
Show InChI InChI=1S/C26H29N3O3/c30-25(27-22-13-19-9-4-5-10-20(19)14-22)17-29-26(31)21(15-23-11-6-12-32-23)16-24(28-29)18-7-2-1-3-8-18/h4-6,9-12,16,18,22H,1-3,7-8,13-15,17H2,(H,27,30)
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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 alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50296747
PNG
(3-benzoyl-4-bromophenyl 1,4-diazabicyclo[3.2.2]non...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C21H21BrN2O3/c22-19-7-6-17(14-18(19)20(25)15-4-2-1-3-5-15)27-21(26)24-13-12-23-10-8-16(24)9-11-23/h1-7,14,16H,8-13H2
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n/an/a 1.39E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50296743
PNG
(4-bromo-3-chlorophenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br
Show InChI InChI=1S/C14H16BrClN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
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n/an/a 2.09E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
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 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50420604
PNG
(CHEMBL2087443)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
Show InChI InChI=1S/C20H28N4O2/c1-26-17-10-8-16(9-11-17)18-15-19(23-22-18)21-20(25)7-3-6-14-24-12-4-2-5-13-24/h8-11,15H,2-7,12-14H2,1H3,(H2,21,22,23,25)
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n/an/a 3.25E+3n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50420606
PNG
(CHEMBL2087447)
Show SMILES Fc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
Show InChI InChI=1S/C19H25FN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(H2,21,22,23,25)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50296744
PNG
(4-bromo-3-methylphenyl 1,4-diazabicyclo[3.2.2]nona...)
Show SMILES Cc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br
Show InChI InChI=1S/C15H19BrN2O2/c1-11-10-13(2-3-14(11)16)20-15(19)18-9-8-17-6-4-12(18)5-7-17/h2-3,10,12H,4-9H2,1H3
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n/an/a 4.02E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50296745
PNG
(3,4-dichlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4...)
Show SMILES Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1Cl
Show InChI InChI=1S/C14H16Cl2N2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
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n/an/a 4.75E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50296748
PNG
(CHEMBL564850 | naphthalen-2-yl 1,4-diazabicyclo[3....)
Show SMILES O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C18H20N2O2/c21-18(20-12-11-19-9-7-16(20)8-10-19)22-17-6-5-14-3-1-2-4-15(14)13-17/h1-6,13,16H,7-12H2
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n/an/a 4.91E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50296727
PNG
(4-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-car...)
Show SMILES Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1
Show InChI InChI=1S/C14H17ClN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50420607
PNG
(CHEMBL2087448)
Show SMILES Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
Show InChI InChI=1S/C19H25BrN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(H2,21,22,23,25)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50420605
PNG
(CHEMBL2087445)
Show SMILES COc1ccccc1-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
Show InChI InChI=1S/C20H28N4O2/c1-26-18-10-4-3-9-16(18)17-15-19(23-22-17)21-20(25)11-5-8-14-24-12-6-2-7-13-24/h3-4,9-10,15H,2,5-8,11-14H2,1H3,(H2,21,22,23,25)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50296742
PNG
(1,4-diazabicyclo[3.2.2]nonane-(4-bromo)-phenyl car...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1
Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
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n/an/a>6.48E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50399290
PNG
(CHEMBL2180836)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1
Show InChI InChI=1S/C20H28N4O2/c1-26-17-10-8-16(9-11-17)18-15-19(23-22-18)21-20(25)7-6-14-24-12-4-2-3-5-13-24/h8-11,15H,2-7,12-14H2,1H3,(H2,21,22,23,25)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Agonist activity at alpha3 nAchR in human SH-SY5Y cells assessed as stimulation of calcium flux by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50296746
PNG
(4-chloro-3-fluorophenyl 1,4-diazabicyclo[3.2.2]non...)
Show SMILES Fc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Cl
Show InChI InChI=1S/C14H16ClFN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2
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n/an/a 9.96E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50420608
PNG
(CHEMBL2087453)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCOCC2)[nH]n1
Show InChI InChI=1S/C19H26N4O3/c1-25-16-7-5-15(6-8-16)17-14-18(22-21-17)20-19(24)4-2-3-9-23-10-12-26-13-11-23/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21,22,24)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50420611
PNG
(CHEMBL2086584)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)C(C)CCCN2CCCN(CC2)C(C)=O)[nH]n1
Show InChI InChI=1S/C23H33N5O3/c1-17(6-4-11-27-12-5-13-28(15-14-27)18(2)29)23(30)24-22-16-21(25-26-22)19-7-9-20(31-3)10-8-19/h7-10,16-17H,4-6,11-15H2,1-3H3,(H2,24,25,26,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50420609
PNG
(CHEMBL2087456)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCCC2)[nH]n1
Show InChI InChI=1S/C21H30N4O2/c1-27-18-11-9-17(10-12-18)19-16-20(24-23-19)22-21(26)8-4-7-15-25-13-5-2-3-6-14-25/h9-12,16H,2-8,13-15H2,1H3,(H2,22,23,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50420610
PNG
(CHEMBL2087457)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCOCC2)[nH]n1
Show InChI InChI=1S/C20H28N4O3/c1-26-17-8-6-16(7-9-17)18-15-19(23-22-18)21-20(25)5-2-3-10-24-11-4-13-27-14-12-24/h6-9,15H,2-5,10-14H2,1H3,(H2,21,22,23,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f...


Citation and Details
More data for this
Ligand-Target Pair
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