Found 41 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-6' Target/Host
(Institution) | Ligand | Target/Host
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 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50263130
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-3-yl)-5'-p...)Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccnc1F |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-13-4-5-16(21)15(8-13)12-7-11(9-19-10-12)14-3-2-6-20-17(14)18/h2-3,6-7,9-10,13,15-16H,4-5,8H2,1H3/t13-,15-,16-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from rat alpha6beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d
BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50263095
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1 | KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from rat alpha6beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d
BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50263171
((+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methy...)Show SMILES CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1 |TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-3-4-16(21)15(7-14)13-6-12(8-19-9-13)11-2-5-17(18)20-10-11/h2,5-6,8-10,14-16H,3-4,7H2,1H3 | KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from rat alpha6beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d
BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50263131
((+)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-p...)Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccc(F)n1 |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-13-5-6-16(21)14(8-13)11-7-12(10-19-9-11)15-3-2-4-17(18)20-15/h2-4,7,9-10,13-14,16H,5-6,8H2,1H3/t13-,14-,16-/m1/s1 | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from rat alpha6beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d
BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Chick) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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 | UniProtKB/SwissProt
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| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by PDSP Ki Database
| |
Mol Pharmacol 63: 1329-37 (2003)
Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Chick) | BDBM86240
(Alpha-Conotoxin MII | Gly-L-Cys(1)-L-Cys(2)-L-Ser-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)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 Show InChI InChI=1S/C67H103N23O22S4/c1-29(2)12-35-55(100)77-34(9-10-51(96)97)54(99)80-38(15-33-20-73-28-75-33)58(103)84-41(21-91)60(105)82-39(16-48(69)93)59(104)79-36(13-30(3)4)56(101)86-43(53(71)98)23-113-115-25-45-64(109)85-42(22-92)61(106)83-40(17-49(70)94)67(112)90-11-7-8-47(90)65(110)89-52(31(5)6)66(111)88-46(26-116-114-24-44(62(107)87-45)76-50(95)18-68)63(108)81-37(57(102)78-35)14-32-19-72-27-74-32/h19-20,27-31,34-47,52,91-92H,7-18,21-26,68H2,1-6H3,(H2,69,93)(H2,70,94)(H2,71,98)(H,72,74)(H,73,75)(H,76,95)(H,77,100)(H,78,102)(H,79,104)(H,80,99)(H,81,108)(H,82,105)(H,83,106)(H,84,103)(H,85,109)(H,86,101)(H,87,107)(H,88,111)(H,89,110)(H,96,97)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1 | UniProtKB/SwissProt
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| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by PDSP Ki Database
| |
Mol Pharmacol 63: 1329-37 (2003)
Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50045045
(CHEMBL3341965)Show SMILES [H][C@]12C[C@]([H])(CNC1)c1cc(ccc21)C(F)(F)F |r| Show InChI InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1 | KEGG
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| >300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Partial agonist activity at rat alpha6 nAChR |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a
BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Chick) | BDBM86241
(CAS_23255-54-1 | Dihydro-Beta-erythroidine | NSC_3...)Show SMILES COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1 |t:4,11| 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 | UniProtKB/SwissProt
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| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by PDSP Ki Database
| |
Mol Pharmacol 63: 1329-37 (2003)
Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Chick) | BDBM86243
(CAS_17360 | MG624 | NSC_17360)Show SMILES CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccccc2)cc1 |w:14.13| Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1 | UniProtKB/SwissProt
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| 4.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by PDSP Ki Database
| |
Mol Pharmacol 63: 1329-37 (2003)
Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Chick) | BDBM86242
(CAS_64645 | NSC_64645 | Tubocurarine,d)Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4 Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2 | UniProtKB/SwissProt
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| 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by PDSP Ki Database
| |
Mol Pharmacol 63: 1329-37 (2003)
Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Chick) | BDBM50038416
((1,6-trimethyl ammonium)hexane; dibromide | CHEMBL...)Show InChI InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2 | UniProtKB/SwissProt
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by PDSP Ki Database
| |
Mol Pharmacol 63: 1329-37 (2003)
Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Chick) | BDBM50060582
(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2 | UniProtKB/SwissProt
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by PDSP Ki Database
| |
Mol Pharmacol 63: 1329-37 (2003)
Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481208
(CHEMBL594330)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C65H104N22O21S4/c1-28(2)11-34(52(94)73-31(7)51(93)75-36(13-32-18-69-26-71-32)55(97)81-40(20-88)57(99)79-38(15-47(67)90)56(98)77-35(12-29(3)4)53(95)85-45(25-112)65(107)108)76-54(96)37(14-33-19-70-27-72-33)78-60(102)44(24-111)84-63(105)50(30(5)6)86-62(104)46-9-8-10-87(46)64(106)39(16-48(68)91)80-58(100)41(21-89)82-61(103)43(23-110)83-59(101)42(22-109)74-49(92)17-66/h18-19,26-31,34-46,50,88-89,109-112H,8-17,20-25,66H2,1-7H3,(H2,67,90)(H2,68,91)(H,69,71)(H,70,72)(H,73,94)(H,74,92)(H,75,93)(H,76,96)(H,77,98)(H,78,102)(H,79,99)(H,80,100)(H,81,97)(H,82,103)(H,83,101)(H,84,105)(H,85,95)(H,86,104)(H,107,108)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | PDB
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antibodypedia
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| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50334463
(1,3,5-tri-{5-[1-(3-picolinium)]-pent-1-ynyl}benzen...)Show SMILES Cc1ccc[n+](CCCC#Cc2cc(cc(c2)C#CCCC[n+]2cccc(C)c2)C#CCCC[n+]2cccc(C)c2)c1 Show InChI InChI=1S/C39H42N3/c1-34-16-13-25-40(31-34)22-10-4-7-19-37-28-38(20-8-5-11-23-41-26-14-17-35(2)32-41)30-39(29-37)21-9-6-12-24-42-27-15-18-36(3)33-42/h13-18,25-33H,4-6,10-12,22-24H2,1-3H3/q+3 | KEGG
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481207
(CHEMBL595286)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C54H85N13O17S4/c1-25(2)17-31(44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(24-88)54(83)84)59-51(80)41(26(3)4)64-43(72)27(5)56-47(76)35(22-86)62-50(79)38-9-7-15-66(38)52(81)39-10-8-16-67(39)53(82)42(28(6)69)65-46(75)33(20-68)60-49(78)36(23-87)61-48(77)34(21-85)57-40(71)19-55/h11-14,25-28,31-39,41-42,68-70,85-88H,7-10,15-24,55H2,1-6H3,(H,56,76)(H,57,71)(H,58,73)(H,59,80)(H,60,78)(H,61,77)(H,62,79)(H,63,74)(H,64,72)(H,65,75)(H,83,84)/t27-,28+,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1 | PDB
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antibodypedia
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| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50334472
(1,3,5-tris(5-(3,4-dihydroisoquinolin-2(1H)-yl)pent...)Show SMILES C(CCN1CCc2ccccc2C1)CCc1cc(CCCCCN2CCc3ccccc3C2)cc(CCCCCN2CCc3ccccc3C2)c1 Show InChI InChI=1S/C48H63N3/c1(13-28-49-31-25-43-19-7-10-22-46(43)37-49)4-16-40-34-41(17-5-2-14-29-50-32-26-44-20-8-11-23-47(44)38-50)36-42(35-40)18-6-3-15-30-51-33-27-45-21-9-12-24-48(45)39-51/h7-12,19-24,34-36H,1-6,13-18,25-33,37-39H2 | KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481206
(CHEMBL595311)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C67H106N22O23S4/c1-29(2)12-35(54(98)76-34(9-10-51(95)96)53(97)79-38(15-33-20-72-28-74-33)57(101)83-41(21-90)59(103)81-39(16-48(69)92)58(102)78-36(13-30(3)4)55(99)87-46(26-116)67(111)112)77-56(100)37(14-32-19-71-27-73-32)80-62(106)45(25-115)86-65(109)52(31(5)6)88-64(108)47-8-7-11-89(47)66(110)40(17-49(70)93)82-60(104)42(22-91)84-63(107)44(24-114)85-61(105)43(23-113)75-50(94)18-68/h19-20,27-31,34-47,52,90-91,113-116H,7-18,21-26,68H2,1-6H3,(H2,69,92)(H2,70,93)(H,71,73)(H,72,74)(H,75,94)(H,76,98)(H,77,100)(H,78,102)(H,79,97)(H,80,106)(H,81,103)(H,82,104)(H,83,101)(H,84,107)(H,85,105)(H,86,109)(H,87,99)(H,88,108)(H,95,96)(H,111,112)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
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| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481209
(CHEMBL595047)Show SMILES [H][C@](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)[C@@H](C)O)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C79H128N26O26S4/c1-8-36(6)59(73(125)98-49(32-135)78(130)131)101-62(114)40(17-18-53(81)108)89-68(120)50-14-10-20-103(50)75(127)42(24-54(82)109)92-63(115)41(23-38-27-86-33-88-38)90-71(123)58(35(4)5)100-74(126)60(37(7)107)102-67(119)48(31-134)97-72(124)57(34(2)3)99-70(122)52-16-12-22-105(52)76(128)43(25-55(83)110)93-64(116)45(28-106)94-65(117)46(29-132)95-66(118)47(30-133)96-69(121)51-15-11-21-104(51)77(129)44(26-56(111)112)91-61(113)39(80)13-9-19-87-79(84)85/h27,33-37,39-52,57-60,106-107,132-135H,8-26,28-32,80H2,1-7H3,(H2,81,108)(H2,82,109)(H2,83,110)(H,86,88)(H,89,120)(H,90,123)(H,91,113)(H,92,115)(H,93,116)(H,94,117)(H,95,118)(H,96,121)(H,97,124)(H,98,125)(H,99,122)(H,100,126)(H,101,114)(H,102,119)(H,111,112)(H,130,131)(H4,84,85,87)/t36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-/m0/s1 | PDB
UniProtKB/SwissProt
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| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50334464
(1,12-bis(3-methyl-5,6-dihydropyridin-1(2H)-yl)dode...)Show SMILES CC1=CCCN(CCCCCCCCCCCCN2CCC=C(C)C2)C1 |t:1,21| Show InChI InChI=1S/C24H44N2/c1-23-15-13-19-25(21-23)17-11-9-7-5-3-4-6-8-10-12-18-26-20-14-16-24(2)22-26/h15-16H,3-14,17-22H2,1-2H3 | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50119774
(1,1'-(dodecane-1,12-diyl)bis(3-methylpyridinium)br...)Show InChI InChI=1S/C24H38N2/c1-23-15-13-19-25(21-23)17-11-9-7-5-3-4-6-8-10-12-18-26-20-14-16-24(2)22-26/h13-16,19-22H,3-12,17-18H2,1-2H3/q+2 | KEGG
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UniChem
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50119774
(1,1'-(dodecane-1,12-diyl)bis(3-methylpyridinium)br...)Show InChI InChI=1S/C24H38N2/c1-23-15-13-19-25(21-23)17-11-9-7-5-3-4-6-8-10-12-18-26-20-14-16-24(2)22-26/h13-16,19-22H,3-12,17-18H2,1-2H3/q+2 | KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at nAChRalpha6beta2 in Sprague-Dawley rat striatal slices assessed as inhibition of nicotine-evoked [3H]dopamine uptake by liquid... |
Bioorg Med Chem 17: 4477-85 (2009)
Article DOI: 10.1016/j.bmc.2009.05.010
BindingDB Entry DOI: 10.7270/Q2XG9R5K |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481212
(CHEMBL609593)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)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](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C61H95N23O21S4/c1-5-26(2)47(59(102)82-40(23-109)61(104)105)83-53(96)32(11-29-16-66-24-69-29)76-50(93)31(8-9-42(63)86)75-52(95)34(14-44(65)88)77-51(94)33(13-43(64)87)73-46(90)18-68-48(91)27(3)71-55(98)38(21-107)80-49(92)28(4)72-58(101)41-7-6-10-84(41)60(103)35(12-30-17-67-25-70-30)78-54(97)36(19-85)79-57(100)39(22-108)81-56(99)37(20-106)74-45(89)15-62/h16-17,24-28,31-41,47,85,106-109H,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 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50334474
(1,1',1'',1'''-(5,5',5'',5'''-(benzene-1,2,4,5-tetr...)Show SMILES OCCCc1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc(CCCO)c3)c(CCCCC[n+]3cccc(CCCO)c3)cc2CCCCC[n+]2cccc(CCCO)c2)c1 Show InChI InChI=1S/C58H86N4O4/c63-41-17-25-51-21-13-37-59(47-51)33-9-1-5-29-55-45-57(31-7-3-11-35-61-39-15-23-53(49-61)27-19-43-65)58(32-8-4-12-36-62-40-16-24-54(50-62)28-20-44-66)46-56(55)30-6-2-10-34-60-38-14-22-52(48-60)26-18-42-64/h13-16,21-24,37-40,45-50,63-66H,1-12,17-20,25-36,41-44H2/q+4 | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50334466
(1,3,5-tris(5-(3-methyl-5,6-dihydropyridin-1(2H)-yl...)Show SMILES CC1=CCCN(CCCC#Cc2cc(cc(c2)C#CCCCN2CCC=C(C)C2)C#CCCCN2CCC=C(C)C2)C1 |t:1,26,39| Show InChI InChI=1S/C39H51N3/c1-34-16-13-25-40(31-34)22-10-4-7-19-37-28-38(20-8-5-11-23-41-26-14-17-35(2)32-41)30-39(29-37)21-9-6-12-24-42-27-15-18-36(3)33-42/h16-18,28-30H,4-6,10-15,22-27,31-33H2,1-3H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50334470
(1,12-bis(3,4-dihydroisoquinolin-2(1H)-yl)dodecane ...)Show InChI InChI=1S/C30H44N2/c1(3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31)2-4-6-8-14-22-32-24-20-28-16-10-12-18-30(28)26-32/h9-12,15-18H,1-8,13-14,19-26H2 | KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.59 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50334471
(1,10-bis(3,4-dihydroisoquinolin-2(1H)-yl)decane | ...)Show InChI InChI=1S/C28H40N2/c1(3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29)2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30/h7-10,13-16H,1-6,11-12,17-24H2 | KEGG
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UniChem
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| Article
PubMed
| n/a | n/a | 9.91 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50516340
(CHEMBL4439678)Show SMILES CC(C)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(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/C66H99N23O21S4/c1-29(2)14-35-55(99)84-41(52(70)96)23-111-113-26-44-61(105)83-40(22-90)58(102)82-39(16-33-21-72-28-74-33)66(110)88-12-6-8-45(88)62(106)75-31(5)53(97)85-43(25-114-112-24-42(59(103)86-44)76-49(93)19-67)60(104)79-37(18-48(69)92)57(101)87-51(30(3)4)64(108)80-36(17-47(68)91)56(100)81-38(15-32-20-71-27-73-32)65(109)89-13-7-9-46(89)63(107)77-34(54(98)78-35)10-11-50(94)95/h20-21,27-31,34-46,51,90H,6-19,22-26,67H2,1-5H3,(H2,68,91)(H2,69,92)(H2,70,96)(H,71,73)(H,72,74)(H,75,106)(H,76,93)(H,77,107)(H,78,98)(H,79,104)(H,80,108)(H,81,100)(H,82,102)(H,83,105)(H,84,99)(H,85,97)(H,86,103)(H,87,101)(H,94,95)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-/m0/s1 | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha6beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response measured aft... |
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-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50567426
(CHEMBL4878856)Show SMILES CC(C)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](CCCNC(N)=N)NC(=O)[C@@H](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(=O)N2)C(C)C |r| | PDB
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha6beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response measured aft... |
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-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50567413
(CHEMBL4865365)Show SMILES CC(C)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(N)=O)NC(=O)[C@@H](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)C(C)C |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha6beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response measured aft... |
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-6
(Rattus norvegicus) | BDBM50334475
(3,3',3'',3'''-(1,1',1'',1'''-(5,5',5'',5'''-(benze...)Show SMILES OCCCC1=CCCN(CCCCCc2cc(CCCCCN3CCC=C(CCCO)C3)c(CCCCCN3CCC=C(CCCO)C3)cc2CCCCCN2CCC=C(CCCO)C2)C1 |t:4,25,42,61| Show InChI InChI=1S/C58H98N4O4/c63-41-17-25-51-21-13-37-59(47-51)33-9-1-5-29-55-45-57(31-7-3-11-35-61-39-15-23-53(49-61)27-19-43-65)58(32-8-4-12-36-62-40-16-24-54(50-62)28-20-44-66)46-56(55)30-6-2-10-34-60-38-14-22-52(48-60)26-18-42-64/h21-24,45-46,63-66H,1-20,25-44,47-50H2 | KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50334465
(1,10-bis(3-methyl-5,6-dihydropyridin-1(2H)-yl)deca...)Show SMILES CC1=CCCN(CCCCCCCCCCN2CCC=C(C)C2)C1 |t:1,19| Show InChI InChI=1S/C22H40N2/c1-21-13-11-17-23(19-21)15-9-7-5-3-4-6-8-10-16-24-18-12-14-22(2)20-24/h13-14H,3-12,15-20H2,1-2H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37.4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50119805
(1,12-di(2-isoquinoliniumyl)dodecane; with dibromid...)Show SMILES C(CCCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C30H38N2/c1(3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31)2-4-6-8-14-22-32-24-20-28-16-10-12-18-30(28)26-32/h9-12,15-20,23-26H,1-8,13-14,21-22H2/q+2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50516342
(CHEMBL4461998)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(N)=O)NC(=O)[C@@H](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(=O)N2)C(C)C |r| Show InChI InChI=1S/C65H98N22O21S4/c1-6-30(4)50-63(106)81-40(51(68)94)23-109-111-26-43-59(102)79-38(21-88)55(98)78-37(16-33-20-70-28-72-33)65(108)86-13-7-9-44(86)60(103)73-31(5)52(95)82-42(25-112-110-24-41(57(100)83-43)74-47(91)18-66)58(101)80-39(22-89)56(99)84-49(29(2)3)62(105)76-35(17-46(67)90)54(97)77-36(15-32-19-69-27-71-32)64(107)87-14-8-10-45(87)61(104)75-34(53(96)85-50)11-12-48(92)93/h19-20,27-31,34-45,49-50,88-89H,6-18,21-26,66H2,1-5H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,103)(H,74,91)(H,75,104)(H,76,105)(H,77,97)(H,78,98)(H,79,102)(H,80,101)(H,81,106)(H,82,95)(H,83,100)(H,84,99)(H,85,96)(H,92,93)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha6beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response measured aft... |
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-6
(Rattus norvegicus) | BDBM50334469
(2,2',2'',2'''-(5,5',5'',5'''-(benzene-1,2,4,5-tetr...)Show SMILES C(CCc1cc(CCCCC[n+]2ccc3ccccc3c2)c(CCCCC[n+]2ccc3ccccc3c2)cc1CCCCC[n+]1ccc2ccccc2c1)CC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C62H70N4/c1(17-37-63-41-33-51-21-9-13-29-59(51)47-63)5-25-55-45-57(27-7-3-19-39-65-43-35-53-23-11-15-31-61(53)49-65)58(28-8-4-20-40-66-44-36-54-24-12-16-32-62(54)50-66)46-56(55)26-6-2-18-38-64-42-34-52-22-10-14-30-60(52)48-64/h9-16,21-24,29-36,41-50H,1-8,17-20,25-28,37-40H2/q+4 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50334467
(1,2-bis-(5-isoquinolinium-pent-1-ynyl)benzene dibr...)Show SMILES C(CC#Cc1ccccc1C#CCCC[n+]1ccc2ccccc2c1)C[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C34H30N2/c1(11-23-35-25-21-31-17-7-9-19-33(31)27-35)3-13-29-15-5-6-16-30(29)14-4-2-12-24-36-26-22-32-18-8-10-20-34(32)28-36/h5-10,15-22,25-28H,1-2,11-12,23-24H2/q+2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50119780
(1,10-di(2-isoquinoliniumyl)decane; with diiodide i...)Show SMILES C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C28H34N2/c1(3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29)2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30/h7-10,13-18,21-24H,1-6,11-12,19-20H2/q+2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50445326
(CHEMBL3104239)Show SMILES CC(C)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(N)=O)NC(=O)[C@@H](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(=O)N2)C(C)C |r| Show InChI InChI=1S/C65H98N22O21S4/c1-29(2)14-35-54(97)82-41(51(68)94)23-109-111-26-44-60(103)80-39(21-88)56(99)79-38(16-33-20-70-28-72-33)65(108)86-12-6-8-45(86)61(104)73-31(5)52(95)83-43(25-112-110-24-42(58(101)84-44)74-48(91)18-66)59(102)81-40(22-89)57(100)85-50(30(3)4)63(106)77-36(17-47(67)90)55(98)78-37(15-32-19-69-27-71-32)64(107)87-13-7-9-46(87)62(105)75-34(53(96)76-35)10-11-49(92)93/h19-20,27-31,34-46,50,88-89H,6-18,21-26,66H2,1-5H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,105)(H,76,96)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,97)(H,83,95)(H,84,101)(H,85,100)(H,92,93)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha6beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 62: 6262-6275 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00566
BindingDB Entry DOI: 10.7270/Q2GQ7231 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50119782
(1,1''-(decane-1,10-diyl)bis(3-methylpyridinium)iod...)Show InChI InChI=1S/C22H34N2/c1-21-13-11-17-23(19-21)15-9-7-5-3-4-6-8-10-16-24-18-12-14-22(2)20-24/h11-14,17-20H,3-10,15-16H2,1-2H3/q+2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481210
(CHEMBL609594)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=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](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C67H104N24O22S4/c1-6-30(4)52(65(111)87-40(23-114)54(100)74-21-50(97)98)89-56(102)34(13-32-19-72-27-75-32)80-63(109)45-10-8-12-91(45)67(113)38(17-48(71)95)83-55(101)35(15-46(69)93)81-64(110)51(29(2)3)88-57(103)36(16-47(70)94)79-60(106)42(25-116)85-53(99)31(5)77-62(108)44-9-7-11-90(44)66(112)37(14-33-20-73-28-76-33)82-58(104)39(22-92)84-61(107)43(26-117)86-59(105)41(24-115)78-49(96)18-68/h19-20,27-31,34-45,51-52,92,114-117H,6-18,21-26,68H2,1-5H3,(H2,69,93)(H2,70,94)(H2,71,95)(H,72,75)(H,73,76)(H,74,100)(H,77,108)(H,78,96)(H,79,106)(H,80,109)(H,81,110)(H,82,104)(H,83,101)(H,84,107)(H,85,99)(H,86,105)(H,87,111)(H,88,103)(H,89,102)(H,97,98)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50334473
(1,2,4,5-tetrakis(5-(3,4-dihydroisoquinolin-2(1H)-y...)Show SMILES C(CCN1CCc2ccccc2C1)CCc1cc(CCCCCN2CCc3ccccc3C2)c(CCCCCN2CCc3ccccc3C2)cc1CCCCCN1CCc2ccccc2C1 Show InChI InChI=1S/C62H82N4/c1(17-37-63-41-33-51-21-9-13-29-59(51)47-63)5-25-55-45-57(27-7-3-19-39-65-43-35-53-23-11-15-31-61(53)49-65)58(28-8-4-20-40-66-44-36-54-24-12-16-32-62(54)50-66)46-56(55)26-6-2-18-38-64-42-34-52-22-10-14-30-60(52)48-64/h9-16,21-24,29-32,45-46H,1-8,17-20,25-28,33-44,47-50H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release |
Bioorg Med Chem Lett 21: 88-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-4
(Rattus norvegicus (Rat)) | BDBM50445326
(CHEMBL3104239)Show SMILES CC(C)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(N)=O)NC(=O)[C@@H](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(=O)N2)C(C)C |r| Show InChI InChI=1S/C65H98N22O21S4/c1-29(2)14-35-54(97)82-41(51(68)94)23-109-111-26-44-60(103)80-39(21-88)56(99)79-38(16-33-20-70-28-72-33)65(108)86-12-6-8-45(86)61(104)73-31(5)52(95)83-43(25-112-110-24-42(58(101)84-44)74-48(91)18-66)59(102)81-40(22-89)57(100)85-50(30(3)4)63(106)77-36(17-47(67)90)55(98)78-37(15-32-19-69-27-71-32)64(107)87-13-7-9-46(87)62(105)75-34(53(96)76-35)10-11-49(92)93/h19-20,27-31,34-46,50,88-89H,6-18,21-26,66H2,1-5H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,105)(H,76,96)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,97)(H,83,95)(H,84,101)(H,85,100)(H,92,93)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha6beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response measured aft... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3 |
More data for this
Ligand-Target Pair | |
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