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Compile Data Set for Download or QSAR

Found 92 hits of ic50 for UniProtKB: P04757   
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 protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140093
PNG
(CHEMBL406720 | GCCSHPACAANNQDYC*)
Show SMILES C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC1=NCNC1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C60H91N21O22S4/c1-25(68-56(99)39(22-106)79-49(92)26(2)69-59(102)41-4-3-11-81(41)60(103)35(13-28-18-66-24-67-28)76-55(98)36(19-82)77-58(101)40(23-107)80-57(100)38(21-105)70-45(87)17-61)48(91)72-32(14-43(63)85)53(96)74-33(15-44(64)86)52(95)71-30(9-10-42(62)84)50(93)75-34(16-46(88)89)54(97)73-31(12-27-5-7-29(83)8-6-27)51(94)78-37(20-104)47(65)90/h5-8,25-26,30-41,66,82-83,104-107H,3-4,9-24,61H2,1-2H3,(H2,62,84)(H2,63,85)(H2,64,86)(H2,65,90)(H,68,99)(H,69,102)(H,70,87)(H,71,95)(H,72,91)(H,73,97)(H,74,96)(H,75,93)(H,76,98)(H,77,101)(H,78,94)(H,79,92)(H,80,100)(H,88,89)/t25-,26-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140086
PNG
(CHEMBL415207 | GGGCCSHPACAANNQDYC*)
Show SMILES C[C@H](NC(=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)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C67H100N24O25S4/c1-28(54(103)77-29(2)55(104)82-36(15-47(70)95)60(109)84-37(16-48(71)96)59(108)81-34(10-11-46(69)94)57(106)85-38(17-52(100)101)61(110)83-35(13-31-6-8-33(93)9-7-31)58(107)88-41(23-117)53(72)102)78-63(112)43(25-119)89-56(105)30(3)79-66(115)45-5-4-12-91(45)67(116)39(14-32-19-73-27-76-32)86-62(111)40(22-92)87-65(114)44(26-120)90-64(113)42(24-118)80-51(99)21-75-50(98)20-74-49(97)18-68/h6-9,19,27-30,34-45,92-93,117-120H,4-5,10-18,20-26,68H2,1-3H3,(H2,69,94)(H2,70,95)(H2,71,96)(H2,72,102)(H,73,76)(H,74,97)(H,75,98)(H,77,103)(H,78,112)(H,79,115)(H,80,99)(H,81,108)(H,82,104)(H,83,110)(H,84,109)(H,85,106)(H,86,111)(H,87,114)(H,88,107)(H,89,105)(H,90,113)(H,100,101)/t28-,29-,30-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45+/m0/s1
PDB

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n/an/a 0.200n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3


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

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electroph...


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 protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140092
PNG
(CHEMBL437662 | GGCCSHPACAANNQDYC*)
Show SMILES C[C@H](NC(=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)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C65H97N23O24S4/c1-27(75-61(108)42(24-115)86-54(101)29(3)76-64(111)44-5-4-12-88(44)65(112)38(14-31-19-71-26-73-31)83-60(107)39(21-89)84-63(110)43(25-116)87-62(109)41(23-114)77-49(95)20-72-48(94)18-66)52(99)74-28(2)53(100)79-35(15-46(68)92)58(105)81-36(16-47(69)93)57(104)78-33(10-11-45(67)91)55(102)82-37(17-50(96)97)59(106)80-34(13-30-6-8-32(90)9-7-30)56(103)85-40(22-113)51(70)98/h6-9,19,26-29,33-44,89-90,113-116H,4-5,10-18,20-25,66H2,1-3H3,(H2,67,91)(H2,68,92)(H2,69,93)(H2,70,98)(H,71,73)(H,72,94)(H,74,99)(H,75,108)(H,76,111)(H,77,95)(H,78,104)(H,79,100)(H,80,106)(H,81,105)(H,82,102)(H,83,107)(H,84,110)(H,85,103)(H,86,101)(H,87,109)(H,96,97)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+/m0/s1
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PubMed
n/an/a 0.280n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140092
PNG
(CHEMBL437662 | GGCCSHPACAANNQDYC*)
Show SMILES C[C@H](NC(=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)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C65H97N23O24S4/c1-27(75-61(108)42(24-115)86-54(101)29(3)76-64(111)44-5-4-12-88(44)65(112)38(14-31-19-71-26-73-31)83-60(107)39(21-89)84-63(110)43(25-116)87-62(109)41(23-114)77-49(95)20-72-48(94)18-66)52(99)74-28(2)53(100)79-35(15-46(68)92)58(105)81-36(16-47(69)93)57(104)78-33(10-11-45(67)91)55(102)82-37(17-50(96)97)59(106)80-34(13-30-6-8-32(90)9-7-30)56(103)85-40(22-113)51(70)98/h6-9,19,26-29,33-44,89-90,113-116H,4-5,10-18,20-25,66H2,1-3H3,(H2,67,91)(H2,68,92)(H2,69,93)(H2,70,98)(H,71,73)(H,72,94)(H,74,99)(H,75,108)(H,76,111)(H,77,95)(H,78,104)(H,79,100)(H,80,106)(H,81,105)(H,82,102)(H,83,107)(H,84,110)(H,85,103)(H,86,101)(H,87,109)(H,96,97)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140087
PNG
(CHEMBL265198 | GCCSNPVCHLEHSNLC*)
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(N)=O
Show InChI InChI=1S/C67H107N23O22S4/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(23-113)53(71)98)78-57(102)37(14-32-19-72-27-74-32)81-63(108)46(26-116)88-66(111)52(31(5)6)89-65(110)47-8-7-11-90(47)67(112)40(17-49(70)94)83-61(106)42(22-92)85-64(109)45(25-115)87-62(107)44(24-114)76-50(95)18-68/h19-20,27-31,34-47,52,91-92,113-116H,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
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n/an/a 0.5n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140088
PNG
(CHEMBL451251 | GGCCSHPACAANNQDYC#)
Show SMILES C[C@H](NC(=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)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C65H96N22O25S4/c1-27(74-60(106)41(23-114)84-53(99)29(3)75-63(109)44-5-4-12-87(44)64(110)38(14-31-19-70-26-72-31)82-59(105)39(21-88)83-62(108)42(24-115)85-61(107)40(22-113)76-49(94)20-71-48(93)18-66)51(97)73-28(2)52(98)78-35(15-46(68)91)57(103)80-36(16-47(69)92)56(102)77-33(10-11-45(67)90)54(100)81-37(17-50(95)96)58(104)79-34(13-30-6-8-32(89)9-7-30)55(101)86-43(25-116)65(111)112/h6-9,19,26-29,33-44,88-89,113-116H,4-5,10-18,20-25,66H2,1-3H3,(H2,67,90)(H2,68,91)(H2,69,92)(H,70,72)(H,71,93)(H,73,97)(H,74,106)(H,75,109)(H,76,94)(H,77,102)(H,78,98)(H,79,104)(H,80,103)(H,81,100)(H,82,105)(H,83,108)(H,84,99)(H,85,107)(H,86,101)(H,95,96)(H,111,112)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140089
PNG
(CHEMBL437423 | GCCSHPACAGNNQHIC*)
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(N)=O
Show InChI InChI=1S/C61H96N24O20S4/c1-5-26(2)47(60(104)81-37(20-106)48(66)92)84-54(98)32(11-29-16-67-24-70-29)77-51(95)31(8-9-42(63)87)76-53(97)34(14-44(65)89)78-52(96)33(13-43(64)88)74-46(91)18-69-49(93)27(3)72-56(100)39(22-108)82-50(94)28(4)73-59(103)41-7-6-10-85(41)61(105)35(12-30-17-68-25-71-30)79-55(99)36(19-86)80-58(102)40(23-109)83-57(101)38(21-107)75-45(90)15-62/h16-17,24-28,31-41,47,86,106-109H,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 1.10n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


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


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 protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140094
PNG
(CCSHPACAANNQDYC* | CHEMBL262475)
Show SMILES C[C@H](NC(=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](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C61H91N21O22S4/c1-25(70-58(101)40(22-107)80-50(93)27(3)71-60(103)42-5-4-12-82(42)61(104)37(14-29-18-67-24-68-29)77-57(100)38(19-83)78-59(102)41(23-108)81-51(94)31(62)20-105)48(91)69-26(2)49(92)73-34(15-44(64)86)55(98)75-35(16-45(65)87)54(97)72-32(10-11-43(63)85)52(95)76-36(17-46(88)89)56(99)74-33(13-28-6-8-30(84)9-7-28)53(96)79-39(21-106)47(66)90/h6-9,18,24-27,31-42,83-84,105-108H,4-5,10-17,19-23,62H2,1-3H3,(H2,63,85)(H2,64,86)(H2,65,87)(H2,66,90)(H,67,68)(H,69,91)(H,70,101)(H,71,103)(H,72,97)(H,73,92)(H,74,99)(H,75,98)(H,76,95)(H,77,100)(H,78,102)(H,79,96)(H,80,93)(H,81,94)(H,88,89)/t25-,26-,27-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42+/m0/s1
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n/an/a 5.84n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140085
PNG
(CHEMBL266702 | GCCSLPPCAANNPDYC*)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(S)cc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C65H99N19O21S5/c1-29(2)18-37(76-57(97)39(24-85)78-60(100)43(28-109)80-59(99)41(26-107)72-49(88)23-66)63(103)84-17-7-10-46(84)65(105)83-16-6-9-45(83)62(102)81-42(27-108)58(98)71-30(3)52(92)70-31(4)53(93)73-35(20-47(67)86)55(95)77-38(21-48(68)87)64(104)82-15-5-8-44(82)61(101)75-36(22-50(89)90)56(96)74-34(19-32-11-13-33(110)14-12-32)54(94)79-40(25-106)51(69)91/h11-14,29-31,34-46,85,106-110H,5-10,15-28,66H2,1-4H3,(H2,67,86)(H2,68,87)(H2,69,91)(H,70,92)(H,71,98)(H,72,88)(H,73,93)(H,74,96)(H,75,101)(H,76,97)(H,77,95)(H,78,100)(H,79,94)(H,80,99)(H,81,102)(H,89,90)/t30-,31-,34-,35-,36-,37+,38-,39+,40-,41+,42-,43+,44+,45-,46-/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140091
PNG
(CHEMBL413505 | IRDgammaCCSNPACRVNNOHVC#)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NC(CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)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(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(O)CC1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C84H137N31O30S4/c1-8-35(6)59(88)76(137)100-40(12-9-15-95-83(90)91)64(125)102-45(24-58(121)122)68(129)101-43(20-39(81(142)143)82(144)145)66(127)110-52(31-149)73(134)111-51(30-148)72(133)107-48(27-116)70(131)106-46(22-56(86)119)79(140)114-17-11-14-53(114)74(135)98-36(7)63(124)109-50(29-147)71(132)99-41(13-10-16-96-84(92)93)65(126)112-60(33(2)3)77(138)104-44(21-55(85)118)67(128)105-47(23-57(87)120)80(141)115-26-38(117)19-54(115)75(136)103-42(18-37-25-94-32-97-37)69(130)113-61(34(4)5)78(139)108-49(28-146)62(89)123/h25,32-36,38-54,59-61,116-117,146-149H,8-24,26-31,88H2,1-7H3,(H2,85,118)(H2,86,119)(H2,87,120)(H2,89,123)(H,94,97)(H,98,135)(H,99,132)(H,100,137)(H,101,129)(H,102,125)(H,103,136)(H,104,138)(H,105,128)(H,106,131)(H,107,133)(H,108,139)(H,109,124)(H,110,127)(H,111,134)(H,112,126)(H,113,130)(H,121,122)(H,142,143)(H,144,145)(H4,90,91,95)(H4,92,93,96)/t35-,36-,38?,40-,41-,42-,43?,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54?,59-,60-,61-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(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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PubMed
n/an/a 13n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


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


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 protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50001696
PNG
(CHEMBL3238023)
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(O)=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/C54H81N13O17S4/c1-25(2)17-31-44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(54(83)84)24-88-87-23-36-49(78)60-33(20-68)46(75)65-42(28(6)69)53(82)67-16-8-10-39(67)52(81)66-15-7-9-38(66)50(79)62-35(22-86-85-21-34(48(77)61-36)57-40(71)19-55)47(76)56-27(5)43(72)64-41(26(3)4)51(80)59-31/h11-14,25-28,31-39,41-42,68-70H,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
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n/an/a 26n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(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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PubMed
n/an/a 28n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


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


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001696
PNG
(CHEMBL3238023)
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(O)=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/C54H81N13O17S4/c1-25(2)17-31-44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(54(83)84)24-88-87-23-36-49(78)60-33(20-68)46(75)65-42(28(6)69)53(82)67-16-8-10-39(67)52(81)66-15-7-9-38(66)50(79)62-35(22-86-85-21-34(48(77)61-36)57-40(71)19-55)47(76)56-27(5)43(72)64-41(26(3)4)51(80)59-31/h11-14,25-28,31-39,41-42,68-70H,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
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n/an/a 28n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes by 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
Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50445322
PNG
(CHEMBL3104235)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)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)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C68H106N24O22S4/c1-32(2)19-36-56(103)87-42(53(72)100)27-115-117-29-44-62(109)86-41(26-93)59(106)85-40(23-52(98)99)66(113)92-18-8-13-48(92)67(114)91-17-7-12-47(91)64(111)89-45(30-118-116-28-43(60(107)88-44)78-50(95)24-70)61(108)80-35(10-5-15-76-68(73)74)54(101)82-37(21-49(71)94)57(104)79-34(9-3-4-14-69)55(102)84-39(20-33-25-75-31-77-33)65(112)90-16-6-11-46(90)63(110)83-38(22-51(96)97)58(105)81-36/h25,31-32,34-48,93H,3-24,26-30,69-70H2,1-2H3,(H2,71,94)(H2,72,100)(H,75,77)(H,78,95)(H,79,104)(H,80,108)(H,81,105)(H,82,101)(H,83,110)(H,84,102)(H,85,106)(H,86,109)(H,87,103)(H,88,107)(H,89,111)(H,96,97)(H,98,99)(H4,73,74,76)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current by voltage clamp el...


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
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


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



Hainan University

Curated by ChEMBL


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


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 protein alpha-3/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50140090
PNG
(CHEMBL217150 | RDPCCSNPVCTVHNPQIC*)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C65H99N19O22S4/c1-29(2)18-37(76-57(98)39(24-85)78-60(101)43(28-110)80-59(100)41(26-108)72-49(89)23-66)63(104)84-17-7-10-46(84)65(106)83-16-6-9-45(83)62(103)81-42(27-109)58(99)71-30(3)52(93)70-31(4)53(94)73-35(20-47(67)87)55(96)77-38(21-48(68)88)64(105)82-15-5-8-44(82)61(102)75-36(22-50(90)91)56(97)74-34(19-32-11-13-33(86)14-12-32)54(95)79-40(25-107)51(69)92/h11-14,29-31,34-46,85-86,107-110H,5-10,15-28,66H2,1-4H3,(H2,67,87)(H2,68,88)(H2,69,92)(H,70,93)(H,71,99)(H,72,89)(H,73,94)(H,74,97)(H,75,102)(H,76,98)(H,77,96)(H,78,101)(H,79,95)(H,80,100)(H,81,103)(H,90,91)/t30-,31-,34-,35-,36-,37+,38-,39+,40-,41+,42-,43+,44+,45-,46-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50445324
PNG
(CHEMBL3104237)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2
Show InChI InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-44(56(74)105)27-120-122-30-47-65(114)88-43(26-95)62(111)87-42(23-54(103)104)70(119)94-18-6-8-48(94)66(115)81-36(7-4-16-78-71(75)76)57(106)90-46(29-123-121-28-45(63(112)91-47)80-51(98)24-72)64(113)84-39(21-50(73)97)60(109)83-38(19-33-10-12-35(96)13-11-33)59(108)85-40(22-53(101)102)61(110)86-41(20-34-25-77-31-79-34)69(118)93-17-5-9-49(93)67(116)82-37(58(107)92-55)14-15-52(99)100/h10-13,25,31-32,36-49,55,95-96H,3-9,14-24,26-30,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,79)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,78)/t32-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Antagonist activity at Sprague-Dawley rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001695
PNG
(CHEMBL3238085)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)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(O)=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](CC)C(=O)N2
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 183n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001696
PNG
(CHEMBL3238023)
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(O)=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/C54H81N13O17S4/c1-25(2)17-31-44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(54(83)84)24-88-87-23-36-49(78)60-33(20-68)46(75)65-42(28(6)69)53(82)67-16-8-10-39(67)52(81)66-15-7-9-38(66)50(79)62-35(22-86-85-21-34(48(77)61-36)57-40(71)19-55)47(76)56-27(5)43(72)64-41(26(3)4)51(80)59-31/h11-14,25-28,31-39,41-42,68-70H,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
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n/an/a 265n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001698
PNG
(CHEMBL3238083)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)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(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C60H81N15O16S4/c1-3-10-37-50(80)67-39(22-33-15-17-35(77)18-16-33)52(82)73-45(60(90)91)30-95-94-28-43-56(86)70-41(26-76)53(83)69-40(23-34-25-62-31-63-34)58(88)75-20-9-14-47(75)59(89)74-19-8-13-46(74)57(87)72-44(29-93-92-27-42(54(84)71-43)64-48(78)24-61)55(85)68-38(21-32-11-6-5-7-12-32)51(81)65-36(4-2)49(79)66-37/h5-7,11-12,15-18,25,31,36-47,76-77H,3-4,8-10,13-14,19-24,26-30,61H2,1-2H3,(H,62,63)(H,64,78)(H,65,81)(H,66,79)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,84)(H,72,87)(H,73,82)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a 298n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001699
PNG
(CHEMBL3238069)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)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(O)=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](CC)C(=O)N2
Show InChI InChI=1S/C60H83N15O16S4/c1-4-7-14-38-51(81)68-40(22-33-16-18-35(77)19-17-33)53(83)74-46(60(90)91)30-95-94-29-45-57(87)71-42(26-76)54(84)70-41(23-34-25-62-31-63-34)59(89)75-20-11-15-47(75)58(88)66-37(6-3)50(80)72-44(28-93-92-27-43(55(85)73-45)64-48(78)24-61)56(86)69-39(21-32-12-9-8-10-13-32)52(82)65-36(5-2)49(79)67-38/h8-10,12-13,16-19,25,31,36-47,76-77H,4-7,11,14-15,20-24,26-30,61H2,1-3H3,(H,62,63)(H,64,78)(H,65,82)(H,66,88)(H,67,79)(H,68,81)(H,69,86)(H,70,84)(H,71,87)(H,72,80)(H,73,85)(H,74,83)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a 307n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001700
PNG
(CHEMBL3238070)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)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(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N2
Show InChI InChI=1S/C60H87N13O16S4/c1-5-9-17-38-51(79)67-41(26-34-20-22-35(75)23-21-34)53(81)72-46(60(88)89)32-93-92-31-45-57(85)69-42(28-74)54(82)66-39(18-10-6-2)59(87)73-24-14-19-47(73)58(86)64-37(8-4)50(78)70-44(30-91-90-29-43(55(83)71-45)62-48(76)27-61)56(84)68-40(25-33-15-12-11-13-16-33)52(80)63-36(7-3)49(77)65-38/h11-13,15-16,20-23,36-47,74-75H,5-10,14,17-19,24-32,61H2,1-4H3,(H,62,76)(H,63,80)(H,64,86)(H,65,77)(H,66,82)(H,67,79)(H,68,84)(H,69,85)(H,70,78)(H,71,83)(H,72,81)(H,88,89)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001701
PNG
(CHEMBL3238086)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[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)N2)NC(=O)[C@H](CC)NC(=O)[C@@H]2CCCN2C1=O)C(O)=O
Show InChI InChI=1S/C59H85N13O16S4/c1-5-9-17-38-58(86)72-23-13-18-46(72)57(85)63-36(8-4)49(77)69-43-29-90-89-28-42(61-47(75)26-60)54(82)70-44(56(84)68-41(27-73)53(81)65-38)30-91-92-31-45(59(87)88)71-52(80)40(25-33-19-21-34(74)22-20-33)66-50(78)37(14-6-2)64-48(76)35(7-3)62-51(79)39(67-55(43)83)24-32-15-11-10-12-16-32/h10-12,15-16,19-22,35-46,73-74H,5-9,13-14,17-18,23-31,60H2,1-4H3,(H,61,75)(H,62,79)(H,63,85)(H,64,76)(H,65,81)(H,66,78)(H,67,83)(H,68,84)(H,69,77)(H,70,82)(H,71,80)(H,87,88)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001702
PNG
(CHEMBL3238084)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[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)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(O)=O
Show InChI InChI=1S/C60H85N13O16S4/c1-4-7-16-38-58(86)73-24-12-18-47(73)59(87)72-23-11-17-46(72)57(85)70-44-31-91-90-29-42(62-48(76)27-61)54(82)69-43(56(84)68-41(28-74)53(81)65-38)30-92-93-32-45(60(88)89)71-52(80)40(26-34-19-21-35(75)22-20-34)66-50(78)37(13-5-2)64-49(77)36(6-3)63-51(79)39(67-55(44)83)25-33-14-9-8-10-15-33/h8-10,14-15,19-22,36-47,74-75H,4-7,11-13,16-18,23-32,61H2,1-3H3,(H,62,76)(H,63,79)(H,64,77)(H,65,81)(H,66,78)(H,67,83)(H,68,84)(H,69,82)(H,70,85)(H,71,80)(H,88,89)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a 345n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001704
PNG
(CHEMBL3238068)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)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(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C61H87N13O16S4/c1-4-7-16-38-51(79)67-41(27-35-20-22-36(76)23-21-35)53(81)72-46(61(89)90)33-94-93-31-44-57(85)69-42(29-75)54(82)66-39(17-8-5-2)59(87)74-25-13-19-48(74)60(88)73-24-12-18-47(73)58(86)71-45(32-92-91-30-43(55(83)70-44)63-49(77)28-62)56(84)68-40(26-34-14-10-9-11-15-34)52(80)64-37(6-3)50(78)65-38/h9-11,14-15,20-23,37-48,75-76H,4-8,12-13,16-19,24-33,62H2,1-3H3,(H,63,77)(H,64,80)(H,65,78)(H,66,82)(H,67,79)(H,68,84)(H,69,85)(H,70,83)(H,71,86)(H,72,81)(H,89,90)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 397n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001711
PNG
(CHEMBL3238073)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](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(O)=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](CC)C(=O)N2)[C@H](C)CC
Show InChI InChI=1S/C57H85N15O16S4/c1-6-10-12-35-48(78)65-36(19-30-14-16-32(74)17-15-30)49(79)70-42(57(87)88)27-92-91-25-40-52(82)67-38(23-73)50(80)66-37(20-31-22-59-28-60-31)56(86)72-18-11-13-43(72)54(84)62-33(8-3)47(77)68-41(26-90-89-24-39(51(81)69-40)61-44(75)21-58)53(83)71-45(29(5)7-2)55(85)63-34(9-4)46(76)64-35/h14-17,22,28-29,33-43,45,73-74H,6-13,18-21,23-27,58H2,1-5H3,(H,59,60)(H,61,75)(H,62,84)(H,63,85)(H,64,76)(H,65,78)(H,66,80)(H,67,82)(H,68,77)(H,69,81)(H,70,79)(H,71,83)(H,87,88)/t29-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,45+/m1/s1
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n/an/a 463n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001725
PNG
(CHEMBL3238067)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](Cc2ccccc2)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(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C61H83N15O16S4/c1-3-5-13-38-51(81)68-40(23-34-16-18-36(78)19-17-34)53(83)74-46(61(91)92)31-96-95-29-44-57(87)71-42(27-77)54(84)70-41(24-35-26-63-32-64-35)59(89)76-21-10-15-48(76)60(90)75-20-9-14-47(75)58(88)73-45(30-94-93-28-43(55(85)72-44)65-49(79)25-62)56(86)69-39(22-33-11-7-6-8-12-33)52(82)66-37(4-2)50(80)67-38/h6-8,11-12,16-19,26,32,37-48,77-78H,3-5,9-10,13-15,20-25,27-31,62H2,1-2H3,(H,63,64)(H,65,79)(H,66,82)(H,67,80)(H,68,81)(H,69,86)(H,70,84)(H,71,87)(H,72,85)(H,73,88)(H,74,83)(H,91,92)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 469n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50445326
PNG
(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
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
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n/an/a 480n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current by voltage clamp el...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001726
PNG
(CHEMBL3238026)
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(O)=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
Show InChI InChI=1S/C65H97N21O22S4/c1-29(2)14-35-53(95)83-44(65(107)108)26-112-111-25-43-59(101)79-39(21-87)55(97)78-38(16-33-20-69-28-71-33)64(106)85-12-6-8-45(85)60(102)72-31(5)51(93)81-42(24-110-109-23-41(57(99)82-43)73-48(90)18-66)58(100)80-40(22-88)56(98)84-50(30(3)4)62(104)76-36(17-47(67)89)54(96)77-37(15-32-19-68-27-70-32)63(105)86-13-7-9-46(86)61(103)74-34(52(94)75-35)10-11-49(91)92/h19-20,27-31,34-46,50,87-88H,6-18,21-26,66H2,1-5H3,(H2,67,89)(H,68,70)(H,69,71)(H,72,102)(H,73,90)(H,74,103)(H,75,94)(H,76,104)(H,77,96)(H,78,97)(H,79,101)(H,80,100)(H,81,93)(H,82,99)(H,83,95)(H,84,98)(H,91,92)(H,107,108)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes by 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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50445321
PNG
(CHEMBL3104244)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C65H89N17O21S4/c1-31-53(91)79-51(32(2)84)62(100)74-39(23-48(67)86)64(102)80-18-6-11-45(80)60(98)72-37(24-50(88)89)55(93)76-41(52(68)90)27-104-106-29-43-59(97)75-40(26-83)56(94)73-38(22-34-14-16-35(85)17-15-34)63(101)82-20-8-13-47(82)65(103)81-19-7-12-46(81)61(99)78-44(30-107-105-28-42(57(95)77-43)70-49(87)25-66)58(96)71-36(54(92)69-31)21-33-9-4-3-5-10-33/h3-5,9-10,14-17,31-32,36-47,51,83-85H,6-8,11-13,18-30,66H2,1-2H3,(H2,67,86)(H2,68,90)(H,69,92)(H,70,87)(H,71,96)(H,72,98)(H,73,94)(H,74,100)(H,75,97)(H,76,93)(H,77,95)(H,78,99)(H,79,91)(H,88,89)/t31-,32+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47-,51-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


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


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001729
PNG
(CHEMBL3238024)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C65H88N16O22S4/c1-31-52(89)78-51(32(2)83)61(98)73-39(23-48(67)85)63(100)79-18-6-11-45(79)59(96)71-37(24-50(87)88)54(91)77-44(65(102)103)30-107-106-28-42-58(95)74-40(26-82)55(92)72-38(22-34-14-16-35(84)17-15-34)62(99)81-20-8-13-47(81)64(101)80-19-7-12-46(80)60(97)76-43(29-105-104-27-41(56(93)75-42)69-49(86)25-66)57(94)70-36(53(90)68-31)21-33-9-4-3-5-10-33/h3-5,9-10,14-17,31-32,36-47,51,82-84H,6-8,11-13,18-30,66H2,1-2H3,(H2,67,85)(H,68,90)(H,69,86)(H,70,94)(H,71,96)(H,72,92)(H,73,98)(H,74,95)(H,75,93)(H,76,97)(H,77,91)(H,78,89)(H,87,88)(H,102,103)/t31-,32+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes by 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
Nicotinic acetylcholine receptor alpha6/alpha3/beta4


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



Hainan University

Curated by ChEMBL


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


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001730
PNG
(CHEMBL3238061)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)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(O)=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](CC)C(=O)N2
Show InChI InChI=1S/C67H86N16O16S4/c1-3-5-15-44-57(88)75-46(24-37-18-20-40(85)21-19-37)59(90)82-53(67(98)99)34-103-102-33-52-64(95)79-49(30-84)61(92)78-48(26-39-29-69-35-71-39)66(97)83-22-11-17-54(83)65(96)73-42(4-2)56(87)80-51(32-101-100-31-50(62(93)81-52)72-55(86)27-68)63(94)76-45(23-36-12-7-6-8-13-36)58(89)77-47(60(91)74-44)25-38-28-70-43-16-10-9-14-41(38)43/h6-10,12-14,16,18-21,28-29,35,42,44-54,70,84-85H,3-5,11,15,17,22-27,30-34,68H2,1-2H3,(H,69,71)(H,72,86)(H,73,96)(H,74,91)(H,75,88)(H,76,94)(H,77,89)(H,78,92)(H,79,95)(H,80,87)(H,81,93)(H,82,90)(H,98,99)/t42-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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n/an/a 1.73E+3n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001731
PNG
(CHEMBL3238089)
Show SMILES CCC[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@@H](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(O)=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](CC)C(=O)N2)[C@H](C)CC
Show InChI InChI=1S/C56H83N15O16S4/c1-6-11-34-47(77)64-35(18-29-13-15-31(73)16-14-29)48(78)69-41(56(86)87)26-91-90-24-39-51(81)66-37(22-72)49(79)65-36(19-30-21-58-27-59-30)55(85)71-17-10-12-42(71)53(83)61-32(8-3)46(76)67-40(25-89-88-23-38(50(80)68-39)60-43(74)20-57)52(82)70-44(28(5)7-2)54(84)62-33(9-4)45(75)63-34/h13-16,21,27-28,32-42,44,72-73H,6-12,17-20,22-26,57H2,1-5H3,(H,58,59)(H,60,74)(H,61,83)(H,62,84)(H,63,75)(H,64,77)(H,65,79)(H,66,81)(H,67,76)(H,68,80)(H,69,78)(H,70,82)(H,86,87)/t28-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,44+/m1/s1
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n/an/a 1.93E+3n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluoresc...


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50448763
PNG
(CHEMBL3128030)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(cnc1F)[C@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2/t12-,14-,16-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...


J Med Chem 57: 836-48 (2014)


Article DOI: 10.1021/jm401602p
BindingDB Entry DOI: 10.7270/Q2JW8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(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 4.20E+3n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


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


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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50428083
PNG
(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Show SMILES CCCCC#Cc1cnc(C)c(OC[C@@H]2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3/t16-/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50448767
PNG
(CHEMBL3128029)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(cnc1F)[C@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2/t12-,14-,16-/m1/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...


J Med Chem 57: 836-48 (2014)


Article DOI: 10.1021/jm401602p
BindingDB Entry DOI: 10.7270/Q2JW8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50448766
PNG
(CHEMBL3128031)
Show SMILES Fc1ncc(cc1-c1ccncc1)[C@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2/t12-,13-,15-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...


J Med Chem 57: 836-48 (2014)


Article DOI: 10.1021/jm401602p
BindingDB Entry DOI: 10.7270/Q2JW8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50448765
PNG
(CHEMBL3128033)
Show SMILES Fc1ncc(cc1-c1ccnc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C16H15ClFN3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2/t11-,12-,14-/m1/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...


J Med Chem 57: 836-48 (2014)


Article DOI: 10.1021/jm401602p
BindingDB Entry DOI: 10.7270/Q2JW8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM221048
PNG
(US9284322, varenicline | US9303017, Varenicline)
Show SMILES C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50428085
PNG
(CHEMBL2323566 | US9303017, (S)-15, YL-1-127)
Show SMILES CCCCC#Cc1cnc(C)c(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50428079
PNG
(CHEMBL2323569 | US9303017, 25, YL-1-199)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CC1CC1
Show InChI InChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50428081
PNG
(CHEMBL2323570 | US9303017, (S)-17)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50428080
PNG
(CHEMBL2323571 | US9303017, (S)-22, YL-1-231)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCF
Show InChI InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
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