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Compile Data Set for Download or QSAR

Found 127 hits of ic50 for UniProtKB: P30926   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50329477
PNG
((S)-N-(3-(4-(3-aminopropylamino)butylamino)propyl)...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)/t29-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515186
PNG
(CHEMBL4462550)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C28H47N5O2/c29-17-9-20-30-18-7-8-19-31-21-10-22-32-28(35)26(23-25-13-5-2-6-14-25)33-27(34)16-15-24-11-3-1-4-12-24/h1,3-4,11-12,15-16,25-26,30-31H,2,5-10,13-14,17-23,29H2,(H,32,35)(H,33,34)/b16-15+/t26-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515196
PNG
(CHEMBL4454232)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H45N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h2,5-6,13-14,22,24,28-29H,1,3-4,7-12,15-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515192
PNG
(CHEMBL4556075)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C26H45N5O3/c27-14-6-17-28-15-4-5-16-29-18-7-19-30-26(34)24(20-21-10-12-23(32)13-11-21)31-25(33)22-8-2-1-3-9-22/h10-13,22,24,28-29,32H,1-9,14-20,27H2,(H,30,34)(H,31,33)/t24-/m0/s1
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n/an/a 0.460n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515195
PNG
(CHEMBL4443845)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCCC1 |r|
Show InChI InChI=1S/C27H53N5O2/c28-16-10-19-29-17-8-9-18-30-20-11-21-31-27(34)25(22-23-12-4-3-5-13-23)32-26(33)24-14-6-1-2-7-15-24/h23-25,29-30H,1-22,28H2,(H,31,34)(H,32,33)/t25-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515185
PNG
(CHEMBL4585225)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C25H43N5O3/c26-13-5-16-27-14-3-4-15-28-17-6-18-29-25(33)23(19-20-9-11-22(31)12-10-20)30-24(32)21-7-1-2-8-21/h9-12,21,23,27-28,31H,1-8,13-19,26H2,(H,29,33)(H,30,32)/t23-/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515189
PNG
(CHEMBL4463134)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C25H49N5O2/c26-14-8-17-27-15-6-7-16-28-18-9-19-29-25(32)23(20-21-10-2-1-3-11-21)30-24(31)22-12-4-5-13-22/h21-23,27-28H,1-20,26H2,(H,29,32)(H,30,31)/t23-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515188
PNG
(CHEMBL4531333)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNC[C@@H]1C[C@H]1CNCCCN |r|
Show InChI InChI=1S/C24H41N5O3/c1-2-5-23(31)29-22(14-18-6-8-21(30)9-7-18)24(32)28-13-4-12-27-17-20-15-19(20)16-26-11-3-10-25/h6-9,19-20,22,26-27,30H,2-5,10-17,25H2,1H3,(H,28,32)(H,29,31)/t19-,20-,22-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515187
PNG
(CHEMBL425006)
Show SMILES CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C23H41N5O2/c1-2-10-22(29)28-21(19-20-11-4-3-5-12-20)23(30)27-18-9-17-26-15-7-6-14-25-16-8-13-24/h3-5,11-12,21,25-26H,2,6-10,13-19,24H2,1H3,(H,27,30)(H,28,29)/t21-/m0/s1
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n/an/a 0.930n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515190
PNG
(CHEMBL4440025)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC1CC2CCC1C2 |r|
Show InChI InChI=1S/C28H53N5O2/c29-12-6-15-30-13-4-5-14-31-16-7-17-32-28(35)26(20-22-8-2-1-3-9-22)33-27(34)21-25-19-23-10-11-24(25)18-23/h22-26,30-31H,1-21,29H2,(H,32,35)(H,33,34)/t23?,24?,25?,26-/m0/s1
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n/an/a 0.950n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515194
PNG
(CHEMBL4559471)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCC1 |r|
Show InChI InChI=1S/C24H47N5O2/c25-13-7-16-26-14-4-5-15-27-17-8-18-28-24(31)22(19-20-9-2-1-3-10-20)29-23(30)21-11-6-12-21/h20-22,26-27H,1-19,25H2,(H,28,31)(H,29,30)/t22-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515193
PNG
(CHEMBL4518954)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNC[C@H]1C[C@H]1CNCCCN |r|
Show InChI InChI=1S/C24H41N5O3/c1-2-5-23(31)29-22(14-18-6-8-21(30)9-7-18)24(32)28-13-4-12-27-17-20-15-19(20)16-26-11-3-10-25/h6-9,19-20,22,26-27,30H,2-5,10-17,25H2,1H3,(H,28,32)(H,29,31)/t19-,20+,22-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515191
PNG
(CHEMBL371789)
Show SMILES CCCC(=O)N[C@@H](CCc1ccccc1)C(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C24H43N5O2/c1-2-10-23(30)29-22(14-13-21-11-4-3-5-12-21)24(31)28-20-9-19-27-17-7-6-16-26-18-8-15-25/h3-5,11-12,22,26-27H,2,6-10,13-20,25H2,1H3,(H,28,31)(H,29,30)/t22-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50329475
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50001695
PNG
(CHEMBL3238085)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r|
Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-evoked current by voltag...


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50329473
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCNCCCCNCCCN |r|
Show InChI InChI=1S/C23H47N5O2/c1-2-10-22(29)28-21(19-20-11-4-3-5-12-20)23(30)27-18-9-17-26-15-7-6-14-25-16-8-13-24/h20-21,25-26H,2-19,24H2,1H3,(H,27,30)(H,28,29)/t21-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50329474
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C23H45N5O2/c24-12-6-15-25-13-4-5-14-26-16-7-17-27-23(30)21(28-22(29)20-10-11-20)18-19-8-2-1-3-9-19/h19-21,25-26H,1-18,24H2,(H,27,30)(H,28,29)/t21-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50329476
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H49N5O2/c33-19-9-22-34-20-7-8-21-35-23-10-24-36-32(39)30(25-26-11-3-1-4-12-26)37-31(38)29-17-15-28(16-18-29)27-13-5-2-6-14-27/h2,5-6,13-18,26,30,34-35H,1,3-4,7-12,19-25,33H2,(H,36,39)(H,37,38)/t30-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50094298
PNG
(CHEMBL16117 | N-[(S)-1-{3-[4-(3-Amino-propylamino)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio...


J Med Chem 62: 6214-6222 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597657
PNG
(CHEMBL5174461)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r|
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n/an/a 65n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00182e
BindingDB Entry DOI: 10.7270/Q27W6H7C
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50490639
PNG
(CHEMBL2332278)
Show SMILES C(c1ccccc1)[N+]12CCC(CC1)C(C2)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N.ClH/c1-4-10-22(11-5-1)20-28-18-16-23(17-19-28)26(21-28)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-15,23,26-27H,16-21H2;1H/q+1;/p-1
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n/an/a 80n/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis


Bioorg Med Chem Lett 23: 1450-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50445327
PNG
(CHEMBL3104240)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](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](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|
Show InChI InChI=1S/C65H98N24O20S4/c1-6-29(4)50-63(107)83-39(51(70)95)22-110-112-25-42-59(103)82-38(21-90)56(100)80-36(14-32-20-72-27-74-32)64(108)88-11-7-9-43(88)60(104)75-30(5)52(96)84-41(24-113-111-23-40(57(101)85-42)76-48(94)18-66)58(102)77-35(16-46(68)92)55(99)86-49(28(2)3)62(106)79-34(15-45(67)91)53(97)81-37(17-47(69)93)65(109)89-12-8-10-44(89)61(105)78-33(54(98)87-50)13-31-19-71-26-73-31/h19-20,26-30,33-44,49-50,90H,6-18,21-25,66H2,1-5H3,(H2,67,91)(H2,68,92)(H2,69,93)(H2,70,95)(H,71,73)(H,72,74)(H,75,104)(H,76,94)(H,77,102)(H,78,105)(H,79,106)(H,80,100)(H,81,97)(H,82,103)(H,83,107)(H,84,96)(H,85,101)(H,86,99)(H,87,98)/t29-,30-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-,50-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 9655-63 (2014)


Article DOI: 10.1021/jm401254c
BindingDB Entry DOI: 10.7270/Q22Z171M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50001697
PNG
(CHEMBL3238027)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](C)NC2=O)C(C)C)[C@@H](C)CC)C(O)=O |r|
Show InChI InChI=1S/C65H97N23O21S4/c1-6-29(4)50-62(105)84-42(65(108)109)25-113-112-24-41-58(101)81-38(21-89)55(98)79-36(14-32-20-71-27-73-32)63(106)87-11-7-9-43(87)59(102)74-30(5)51(94)82-40(23-111-110-22-39(56(99)83-41)75-48(93)18-66)57(100)76-35(16-46(68)91)54(97)85-49(28(2)3)61(104)78-34(15-45(67)90)52(95)80-37(17-47(69)92)64(107)88-12-8-10-44(88)60(103)77-33(53(96)86-50)13-31-19-70-26-72-31/h19-20,26-30,33-44,49-50,89H,6-18,21-25,66H2,1-5H3,(H2,67,90)(H2,68,91)(H2,69,92)(H,70,72)(H,71,73)(H,74,102)(H,75,93)(H,76,100)(H,77,103)(H,78,104)(H,79,98)(H,80,95)(H,81,101)(H,82,94)(H,83,99)(H,84,105)(H,85,97)(H,86,96)(H,108,109)/t29-,30-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-,50-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin)


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50441363
PNG
(CHEMBL2332280)
Show SMILES [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2
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n/an/a 100n/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis


Bioorg Med Chem Lett 23: 1450-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50369323
PNG
(MECAMYLAMINE)
Show SMILES CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C |r|
Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Inhibitory activity against nicotinic acetylcholine receptor alpha3-beta4


Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50567433
PNG
(CHEMBL4869892)
Show SMILES [H][C@]1(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](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](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)CC |r|
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n/an/a 179n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-ele...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50490640
PNG
(3-Benzhydrylquinuclidine | CHEMBL2332279)
Show SMILES C1CN2CCC1C(C2)C(c1ccccc1)c1ccccc1 |(6.28,-10.59,;6.27,-12.14,;7.6,-12.91,;6.82,-11.57,;6.89,-10.57,;7.61,-9.83,;8.94,-10.6,;8.95,-12.14,;10.27,-9.83,;10.27,-8.29,;8.94,-7.52,;8.94,-5.97,;10.27,-5.2,;11.61,-5.97,;11.61,-7.52,;11.61,-10.6,;11.6,-12.14,;12.93,-12.91,;14.27,-12.14,;14.26,-10.59,;12.93,-9.82,)|
Show InChI InChI=1S/C20H23N/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19-20H,11-15H2
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n/an/a 200n/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis


Bioorg Med Chem Lett 23: 1450-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597656
PNG
(CHEMBL5209526)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r|
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n/an/a 347n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00182e
BindingDB Entry DOI: 10.7270/Q27W6H7C
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50441363
PNG
(CHEMBL2332280)
Show SMILES [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2
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n/an/a 380n/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub...


Bioorg Med Chem Lett 23: 1450-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50441363
PNG
(CHEMBL2332280)
Show SMILES [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2
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n/an/a 380n/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub...


Bioorg Med Chem Lett 23: 1450-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50490640
PNG
(3-Benzhydrylquinuclidine | CHEMBL2332279)
Show SMILES C1CN2CCC1C(C2)C(c1ccccc1)c1ccccc1 |(6.28,-10.59,;6.27,-12.14,;7.6,-12.91,;6.82,-11.57,;6.89,-10.57,;7.61,-9.83,;8.94,-10.6,;8.95,-12.14,;10.27,-9.83,;10.27,-8.29,;8.94,-7.52,;8.94,-5.97,;10.27,-5.2,;11.61,-5.97,;11.61,-7.52,;11.61,-10.6,;11.6,-12.14,;12.93,-12.91,;14.27,-12.14,;14.26,-10.59,;12.93,-9.82,)|
Show InChI InChI=1S/C20H23N/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19-20H,11-15H2
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n/an/a 398n/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub...


Bioorg Med Chem Lett 23: 1450-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50508934
PNG
(CHEMBL4463817)
Show SMILES [H][C@@]12CC[C@@]3(C)c4[nH]c5ccccc5c4C[C@@]([H])(NC1(C)C)[C@@]3([H])C2 |r|
Show InChI InChI=1S/C20H26N2/c1-19(2)12-8-9-20(3)15(10-12)17(22-19)11-14-13-6-4-5-7-16(13)21-18(14)20/h4-7,12,15,17,21-22H,8-11H2,1-3H3/t12-,15+,17+,20+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



American University of Health Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human AChR alpha3beta4 transfected in human HEK293 cells assessed as decrease in epibatidine-induced calcium influx incubated ...


J Nat Prod 82: 1953-1960 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00314
BindingDB Entry DOI: 10.7270/Q2Z89GQP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50490640
PNG
(3-Benzhydrylquinuclidine | CHEMBL2332279)
Show SMILES C1CN2CCC1C(C2)C(c1ccccc1)c1ccccc1 |(6.28,-10.59,;6.27,-12.14,;7.6,-12.91,;6.82,-11.57,;6.89,-10.57,;7.61,-9.83,;8.94,-10.6,;8.95,-12.14,;10.27,-9.83,;10.27,-8.29,;8.94,-7.52,;8.94,-5.97,;10.27,-5.2,;11.61,-5.97,;11.61,-7.52,;11.61,-10.6,;11.6,-12.14,;12.93,-12.91,;14.27,-12.14,;14.26,-10.59,;12.93,-9.82,)|
Show InChI InChI=1S/C20H23N/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19-20H,11-15H2
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n/an/a 400n/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub...


Bioorg Med Chem Lett 23: 1450-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50587088
PNG
(CHEMBL5082749)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=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](CCCNC(N)=N)C(=O)N2 |r|
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n/an/a 501n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00182e
BindingDB Entry DOI: 10.7270/Q27W6H7C
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(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 |r,wU:74.77,66.73,55.57,101.105,118.122,50.133,42.137,24.25,17.21,4.3,wD:59.60,86.88,107.111,122.127,46.134,129.136,32.33,8.8,2.2,91.98,(66.49,-32.86,;65.08,-32.24,;63.83,-33.16,;64.02,-34.68,;62.43,-32.53,;62.25,-31.01,;63.49,-30.09,;64.9,-30.71,;63.31,-28.57,;61.9,-27.95,;60.66,-28.86,;59.25,-28.25,;59.09,-26.73,;58.02,-29.17,;64.55,-27.65,;64.38,-26.11,;62.97,-25.51,;65.62,-25.21,;67,-25.9,;67.96,-24.53,;66.95,-23.19,;65.37,-23.73,;64.06,-22.94,;62.71,-23.69,;64.08,-21.4,;65.43,-20.65,;65.44,-19.11,;64.12,-18.32,;66.79,-18.36,;62.75,-20.6,;61.4,-21.35,;61.39,-22.89,;60.09,-20.56,;58.74,-21.31,;58.72,-22.85,;59.95,-23.78,;59.45,-25.22,;57.91,-25.2,;57.46,-23.74,;60.11,-19.03,;58.8,-18.23,;57.45,-18.99,;58.82,-16.7,;57.5,-15.9,;56.11,-15.26,;55.97,-13.72,;54.85,-16.13,;53.46,-15.48,;52.19,-16.37,;52.32,-17.91,;50.8,-15.72,;50.67,-14.18,;51.32,-12.42,;30.25,-15.39,;28.35,-17.6,;28.36,-19.15,;27.03,-19.93,;25.7,-19.18,;25.68,-17.64,;24.37,-19.97,;24.47,-21.5,;22.84,-21.86,;22,-20.42,;23.11,-19.17,;22.9,-17.64,;24.05,-16.63,;21.44,-17.14,;21.14,-15.62,;22.3,-14.61,;23.75,-15.11,;22,-13.11,;20.28,-18.15,;18.83,-17.66,;18.52,-16.14,;17.66,-18.67,;17.96,-20.17,;16.21,-18.17,;15.91,-16.66,;14.46,-16.17,;14.17,-14.65,;12.7,-14.16,;12.41,-12.65,;11.55,-15.17,;29.71,-19.9,;29.72,-21.45,;31.03,-19.12,;32.37,-19.88,;32.39,-21.41,;33.72,-22.17,;57.48,-36.19,;58.72,-35.28,;60.12,-35.9,;61.37,-34.98,;61.18,-33.46,;59.79,-32.84,;60.3,-37.42,;59.07,-38.34,;61.72,-38.04,;33.69,-19.09,;33.67,-17.55,;35.03,-19.85,;36.36,-19.06,;36.34,-17.53,;37.67,-16.75,;37.7,-19.81,;37.72,-21.36,;39.03,-19.03,;40.36,-19.79,;40.38,-21.33,;41.72,-22.09,;41.74,-23.62,;43.05,-21.29,;41.69,-19,;43.03,-19.76,;41.67,-17.46,;40.39,-16.39,;40.99,-14.83,;42.67,-14.94,;42.79,-16.48,;44.23,-17.05,;44.36,-18.59,;45.49,-16.18,;46.89,-16.82,;47.02,-18.36,;48.4,-19.01,;45.75,-19.24,;48.14,-15.94,;48.01,-14.41,;49.53,-16.59,;54.98,-17.67,;53.72,-18.55,;56.37,-18.32,;60.17,-15.94,;61.48,-16.75,;60.18,-14.41,)|
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 518n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophy...


J Med Chem 56: 9655-63 (2014)


Article DOI: 10.1021/jm401254c
BindingDB Entry DOI: 10.7270/Q22Z171M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50490639
PNG
(CHEMBL2332278)
Show SMILES C(c1ccccc1)[N+]12CCC(CC1)C(C2)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N.ClH/c1-4-10-22(11-5-1)20-28-18-16-23(17-19-28)26(21-28)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-15,23,26-27H,16-21H2;1H/q+1;/p-1
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n/an/a 600n/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub...


Bioorg Med Chem Lett 23: 1450-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50490639
PNG
(CHEMBL2332278)
Show SMILES C(c1ccccc1)[N+]12CCC(CC1)C(C2)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N.ClH/c1-4-10-22(11-5-1)20-28-18-16-23(17-19-28)26(21-28)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-15,23,26-27H,16-21H2;1H/q+1;/p-1
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n/an/a 603n/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incub...


Bioorg Med Chem Lett 23: 1450-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.054
BindingDB Entry DOI: 10.7270/Q2SQ939P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50445323
PNG
(CHEMBL3104236)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)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(=O)N2 |r|
Show InChI InChI=1S/C61H92N24O20S4/c1-5-26(2)47-60(104)81-37(48(66)92)20-106-108-23-40-58(102)80-36(19-86)55(99)79-35(12-30-17-68-25-71-30)61(105)85-10-6-7-41(85)59(103)73-28(4)50(94)82-39(22-109-107-21-38(57(101)83-40)75-45(90)15-62)56(100)72-27(3)49(93)69-18-46(91)74-33(13-43(64)88)52(96)78-34(14-44(65)89)53(97)76-31(8-9-42(63)87)51(95)77-32(54(98)84-47)11-29-16-67-24-70-29/h16-17,24-28,31-41,47,86H,5-15,18-23,62H2,1-4H3,(H2,63,87)(H2,64,88)(H2,65,89)(H2,66,92)(H,67,70)(H,68,71)(H,69,93)(H,72,100)(H,73,103)(H,74,91)(H,75,90)(H,76,97)(H,77,95)(H,78,96)(H,79,99)(H,80,102)(H,81,104)(H,82,94)(H,83,101)(H,84,98)/t26-,27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,47-/m0/s1
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n/an/a 755n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophy...


J Med Chem 56: 9655-63 (2014)


Article DOI: 10.1021/jm401254c
BindingDB Entry DOI: 10.7270/Q22Z171M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50001727
PNG
(CHEMBL3238025)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](C)NC2=O)[C@@H](C)CC)C(O)=O |r|
Show InChI InChI=1S/C61H91N23O21S4/c1-5-26(2)47-59(102)82-40(61(104)105)23-109-108-22-39-57(100)79-36(19-85)54(97)78-35(12-30-17-67-25-70-30)60(103)84-10-6-7-41(84)58(101)72-28(4)49(92)80-38(21-107-106-20-37(56(99)81-39)74-45(89)15-62)55(98)71-27(3)48(91)68-18-46(90)73-33(13-43(64)87)51(94)77-34(14-44(65)88)52(95)75-31(8-9-42(63)86)50(93)76-32(53(96)83-47)11-29-16-66-24-69-29/h16-17,24-28,31-41,47,85H,5-15,18-23,62H2,1-4H3,(H2,63,86)(H2,64,87)(H2,65,88)(H,66,69)(H,67,70)(H,68,91)(H,71,98)(H,72,101)(H,73,90)(H,74,89)(H,75,95)(H,76,93)(H,77,94)(H,78,97)(H,79,100)(H,80,92)(H,81,99)(H,82,102)(H,83,96)(H,104,105)/t26-,27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,47-/m0/s1
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n/an/a 755n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of human alpha3beta4 nAChR expressed in Xenopus laevis oocytes by two-electrode voltage clamp technique


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50341207
PNG
((S,S)-2-(3'-Chlorophenyl)-4-ethyl-3,5,5-trimethylm...)
Show SMILES CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


J Med Chem 54: 1441-8 (2011)


Article DOI: 10.1021/jm1014555
BindingDB Entry DOI: 10.7270/Q2WW7HZ2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50339933
PNG
(1,1',1'',1'''-(5,5',5'',5'''-(benzene-1,2,4,5-tetr...)
Show SMILES C(CC#Cc1cc(C#CCCC[n+]2cccc(c2)-c2ccccc2)c(cc1C#CCCC[n+]1cccc(c1)-c1ccccc1)C#CCCC[n+]1cccc(c1)-c1ccccc1)C[n+]1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C70H62N4/c1-9-29-59(30-10-1)67-41-25-49-71(55-67)45-21-5-17-37-63-53-65(39-19-7-23-47-73-51-27-43-69(57-73)61-33-13-3-14-34-61)66(40-20-8-24-48-74-52-28-44-70(58-74)62-35-15-4-16-36-62)54-64(63)38-18-6-22-46-72-50-26-42-68(56-72)60-31-11-2-12-32-60/h1-4,9-16,25-36,41-44,49-58H,5-8,21-24,45-48H2/q+4
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n/an/a 800n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of alpha3beta4 nAChR


Bioorg Med Chem Lett 21: 2476-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.043
BindingDB Entry DOI: 10.7270/Q2TD9XN9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50508933
PNG
(CHEMBL4461511)
Show SMILES [H][C@@]12CC=C(C)[C@@]([H])(C1)[C@]([H])(NC2(C)C)c1ccnc2ccccc12 |r,t:3|
Show InChI InChI=1S/C20H24N2/c1-13-8-9-14-12-17(13)19(22-20(14,2)3)16-10-11-21-18-7-5-4-6-15(16)18/h4-8,10-11,14,17,19,22H,9,12H2,1-3H3/t14-,17-,19-/m1/s1
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n/an/a 960n/an/an/an/an/an/a



American University of Health Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human AChR alpha3beta4 transfected in human HEK293 cells assessed as decrease in epibatidine-induced calcium influx incubated ...


J Nat Prod 82: 1953-1960 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00314
BindingDB Entry DOI: 10.7270/Q2Z89GQP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50341208
PNG
((S,S)-2-(3'-Chlorophenyl)-3,5,5-trimethyl-4-propyl...)
Show SMILES CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


J Med Chem 54: 1441-8 (2011)


Article DOI: 10.1021/jm1014555
BindingDB Entry DOI: 10.7270/Q2WW7HZ2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50451971
PNG
(CHEMBL330867)
Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)CC(C2CCCC2)C1=O
Show InChI InChI=1S/C31H38N2O4/c34-29-20-27(25-14-4-5-15-25)30(35)33(29)28-17-7-6-16-26(28)31(36)37-22-24-13-9-19-32(21-24)18-8-12-23-10-2-1-3-11-23/h1-3,6-7,10-11,16-17,24-25,27H,4-5,8-9,12-15,18-22H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion


Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50322520
PNG
((2S,3S)-2-Biphenyl-4-yl-3,5,5-trimethylmorpholin-2...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2/c1-14-19(21,22-13-18(2,3)20-14)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20-21H,13H2,1-3H3/t14-,19+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nicotinic receptor in human SH-SY5Y cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx a...


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50451974
PNG
(CHEMBL340342)
Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)CC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C33H36N2O4/c36-31-22-28(21-26-13-5-2-6-14-26)32(37)35(31)30-18-8-7-17-29(30)33(38)39-24-27-16-10-20-34(23-27)19-9-15-25-11-3-1-4-12-25/h1-8,11-14,17-18,27-28H,9-10,15-16,19-24H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion


Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50149051
PNG
(2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-benzoic ac...)
Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H30N2O4/c33-28-24-14-4-5-15-25(24)29(34)32(28)27-17-7-6-16-26(27)30(35)36-21-23-13-9-19-31(20-23)18-8-12-22-10-2-1-3-11-22/h1-7,10-11,14-17,23H,8-9,12-13,18-21H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion


Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50451972
PNG
(CHEMBL125960)
Show SMILES CCCCCCCCC1CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C34H46N2O4/c1-2-3-4-5-6-10-19-29-24-32(37)36(33(29)38)31-21-12-11-20-30(31)34(39)40-26-28-18-14-23-35(25-28)22-13-17-27-15-8-7-9-16-27/h7-9,11-12,15-16,20-21,28-29H,2-6,10,13-14,17-19,22-26H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion


Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597655
PNG
(CHEMBL5185118)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(O)=O |r|
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n/an/a 1.35E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00182e
BindingDB Entry DOI: 10.7270/Q27W6H7C
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50322528
PNG
((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C13H18BrNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


J Med Chem 54: 1441-8 (2011)


Article DOI: 10.1021/jm1014555
BindingDB Entry DOI: 10.7270/Q2WW7HZ2
More data for this
Ligand-Target Pair
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