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Compile Data Set for Download or QSAR

Found 266 hits Enz. Inhib. hit(s) with Target = 'Nicotinic acetylcholine receptor alpha6/alpha3/beta4'   
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


(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-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-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)
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)
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)
BDBM50399293
PNG
(CHEMBL2086582)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1
Show InChI InChI=1S/C22H31N5O3/c1-17(28)27-13-5-12-26(14-15-27)11-4-3-6-22(29)23-21-16-20(24-25-21)18-7-9-19(30-2)10-8-18/h7-10,16H,3-6,11-15H2,1-2H3,(H2,23,24,25,29)
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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
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


(Homo sapiens)
BDBM50399289
PNG
(CHEMBL2180835)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1
Show InChI InChI=1S/C19H26N4O2/c1-25-16-9-7-15(8-10-16)17-14-18(22-21-17)20-19(24)6-5-13-23-11-3-2-4-12-23/h7-10,14H,2-6,11-13H2,1H3,(H2,20,21,22,24)
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n/an/a>3.16E+4n/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


(RAT)
BDBM50241747
PNG
(3-demethoxy-2alpha,3alpha-methylenedioxyerythrocul...)
Show SMILES COC(=O)c1cc2c(CCN3CCC4=C[C@@H]5OCO[C@@H]5C[C@]234)cc1OC
Show InChI InChI=1S/C20H23NO5/c1-23-16-7-12-3-5-21-6-4-13-8-17-18(26-11-25-17)10-20(13,21)15(12)9-14(16)19(22)24-2/h7-9,17-18H,3-6,10-11H2,1-2H3/t17-,18+,20-/m0/s1
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n/an/a 7.70E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nicotinic receptor expressed in KXalpha3beta4R2 cells assessed as nicotine-induced calcium fluorescence


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


(RAT)
BDBM50241746
PNG
(15-amido-3-demethoxy-2alpha,3alpha-methylenedioxye...)
Show SMILES COc1cc2CCN3CCC4=C[C@@H]5OCO[C@@H]5C[C@]34c2cc1C(N)=O
Show InChI InChI=1S/C19H22N2O4/c1-23-15-6-11-2-4-21-5-3-12-7-16-17(25-10-24-16)9-19(12,21)14(11)8-13(15)18(20)22/h6-8,16-17H,2-5,9-10H2,1H3,(H2,20,22)/t16-,17+,19-/m0/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nicotinic receptor expressed in KXalpha3beta4R2 cells assessed as nicotine-induced calcium fluorescence


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


(RAT)
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat alpha3beta4 nicotinic receptor expressed in KXalpha3beta4R2 cells assessed as nicotine-induced 86Rb+ efflux


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


(Rattus norvegicus)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0200n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)

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


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0350n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells


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


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0350n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




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


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0350n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


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


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0400n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

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


(RAT)
BDBM50295955
PNG
(5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...)
Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1
Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1
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0.0410n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


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


(RAT)
BDBM50263171
PNG
((+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methy...)
Show SMILES CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1
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
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0.0930n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells


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


(RAT)
BDBM50100712
PNG
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)
Show SMILES Ic1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.110n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

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


(RAT)
BDBM50263095
PNG
((+)-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
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
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0.130n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells


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


(RAT)
BDBM50100712
PNG
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)
Show SMILES Ic1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.180n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




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


(RAT)
BDBM50171347
PNG
(3-(Azetidin-2-ylmethoxy)-pyridine | A-85380 | CHEM...)
Show SMILES C(Oc1cccnc1)C1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2
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0.210n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




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


(RAT)
BDBM50295953
PNG
(2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...)
Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1
Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


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


(RAT)
BDBM50295956
PNG
(2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...)
Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1
Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


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


(RAT)
BDBM50295954
PNG
(2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-((1-m...)
Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1
Show InChI InChI=1S/C17H19ClFN3O2/c1-22-6-2-3-13(22)11-23-14-8-15(17(18)21-9-14)24-10-12-4-5-20-16(19)7-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


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


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.380n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Mol Pharmacol 54: 322-33 (1998)

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


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.460n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




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


(RAT)
BDBM50066789
PNG
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)
Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




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


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.570n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




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


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.570n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting


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


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.570n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells


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


(RAT)
BDBM50263130
PNG
((+)-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
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
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0.680n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
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