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Compile Data Set for Download or QSAR

Found 2618 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7'   
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
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50170589
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)
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 Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50170586
PNG
((3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)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)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C=O
Show InChI InChI=1S/C65H92N16O21S4/c1-32(53(90)78-52(33(2)84)62(99)74-41(23-49(67)86)64(101)79-18-6-11-46(79)60(97)72-39(24-51(88)89)55(92)69-36(26-82)28-103)68-54(91)38(21-34-9-4-3-5-10-34)71-58(95)45(31-106)77-61(98)47-12-7-19-80(47)65(102)48-13-8-20-81(48)63(100)40(22-35-14-16-37(85)17-15-35)73-56(93)42(27-83)75-59(96)44(30-105)76-57(94)43(29-104)70-50(87)25-66/h3-5,9-10,14-17,26,32-33,36,38-48,52,83-85,103-106H,6-8,11-13,18-25,27-31,66H2,1-2H3,(H2,67,86)(H,68,91)(H,69,92)(H,70,87)(H,71,95)(H,72,97)(H,73,93)(H,74,99)(H,75,96)(H,76,94)(H,77,98)(H,78,90)(H,88,89)/t32-,33+,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha7; Range is 0.3-1.5 nM


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393253
PNG
(CHEMBL2151573)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=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(=O)N2
Show InChI InChI=1S/C89H143N37O31S4/c1-38(2)24-47-72(143)115-49(27-60(91)128)74(145)118-51(28-61(92)129)83(154)126-23-9-15-59(126)82(153)117-48(25-40-31-102-37-107-40)73(144)116-50(30-65(135)136)75(146)123-55(78(149)111-42(10-4-18-103-86(94)95)68(139)110-43(11-5-19-104-87(96)97)69(140)113-46(85(156)157)13-7-21-106-89(100)101)34-159-160-35-56-79(150)120-53(32-127)76(147)119-52(29-62(93)130)84(155)125-22-8-14-58(125)81(152)108-39(3)66(137)121-54(77(148)112-44(70(141)114-47)12-6-20-105-88(98)99)33-158-161-36-57(80(151)124-56)122-71(142)45(16-17-63(131)132)109-67(138)41(90)26-64(133)134/h31,37-39,41-59,127H,4-30,32-36,90H2,1-3H3,(H2,91,128)(H2,92,129)(H2,93,130)(H,102,107)(H,108,152)(H,109,138)(H,110,139)(H,111,149)(H,112,148)(H,113,140)(H,114,141)(H,115,143)(H,116,144)(H,117,153)(H,118,145)(H,119,147)(H,120,150)(H,121,137)(H,122,142)(H,123,146)(H,124,151)(H,131,132)(H,133,134)(H,135,136)(H,156,157)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
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n/an/a 1.09n/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in Xenopus oocyte


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
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 Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50170592
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-{[(2S)-1-[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C74H124N26O20S4/c1-36(2)26-45(62(111)91-46(27-40-17-19-42(104)20-18-40)63(112)94-48(32-121)59(108)85-29-55(106)88-43(13-8-22-83-73(78)79)61(110)90-44(14-9-23-84-74(80)81)60(109)87-41(30-101)12-7-21-82-72(76)77)92-69(118)56(37(3)4)97-58(107)38(5)86-65(114)50(34-123)96-68(117)52-15-10-24-99(52)70(119)53-16-11-25-100(53)71(120)57(39(6)103)98-64(113)47(31-102)93-67(116)51(35-124)95-66(115)49(33-122)89-54(105)28-75/h17-20,30,36-39,41,43-53,56-57,102-104,121-124H,7-16,21-29,31-35,75H2,1-6H3,(H,85,108)(H,86,114)(H,87,109)(H,88,106)(H,89,105)(H,90,110)(H,91,111)(H,92,118)(H,93,116)(H,94,112)(H,95,115)(H,96,117)(H,97,107)(H,98,113)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t38-,39+,41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha7; Range is 0.3-1.5 nM


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50454430
PNG
(NUDICAULINE | Nudicauline)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC(C)=O)C5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)C23)C14
Show InChI InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23?,25-,26-,28?,29-,30?,31-,34?,35-,36+,37-,38+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



School of Pharmacy and Pharmacology

Curated by ChEMBL


Assay Description
Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016184
PNG
(CHEMBL3262131)
Show SMILES Cl.C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2o1
Show InChI InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
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n/an/a 4n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016200
PNG
(CHEMBL3262146)
Show SMILES Cl.Clc1cnc2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C16H16ClN5OS.ClH/c17-11-6-14-15(20-7-11)21-16(24-14)22-5-4-19-8-12(22)10-23-13-2-1-3-18-9-13;/h1-3,6-7,9,12,19H,4-5,8,10H2;1H
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n/an/a 4n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50170584
PNG
(4-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentana...)
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(CCC(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/C83H137N31O28S4/c1-8-36(6)60(87)77(138)100-40(12-9-17-94-82(89)90)65(126)101-45(25-59(122)123)69(130)99-42(15-16-58(120)121)66(127)109-52(32-146)74(135)110-51(31-145)73(134)106-48(28-115)71(132)105-46(23-56(85)118)80(141)113-19-11-14-53(113)75(136)97-37(7)64(125)108-50(30-144)72(133)98-41(13-10-18-95-83(91)92)67(128)111-61(34(2)3)78(139)103-44(22-55(84)117)68(129)104-47(24-57(86)119)81(142)114-27-39(116)21-54(114)76(137)102-43(20-38-26-93-33-96-38)70(131)112-62(35(4)5)79(140)107-49(29-143)63(88)124/h26,33-37,39-54,60-62,115-116,143-146H,8-25,27-32,87H2,1-7H3,(H2,84,117)(H2,85,118)(H2,86,119)(H2,88,124)(H,93,96)(H,97,136)(H,98,133)(H,99,130)(H,100,138)(H,101,126)(H,102,137)(H,103,139)(H,104,129)(H,105,132)(H,106,134)(H,107,140)(H,108,125)(H,109,127)(H,110,135)(H,111,128)(H,112,131)(H,120,121)(H,122,123)(H4,89,90,94)(H4,91,92,95)/t36-,37-,39?,40-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54?,60-,61-,62-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha-7 Range is 3-5 nM


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016185
PNG
(CHEMBL3262132)
Show SMILES Cl.C(Oc1cccnc1)[C@H]1CNCCN1c1nc2ncccc2o1
Show InChI InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H/t12-;/m1./s1
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n/an/a 5.5n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50454436
PNG
(ELATINE | Elatine)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@@]5([C@@H](OC)[C@H]23)C14
Show InChI InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20-,22+,23+,25-,26-,28+,29-,30+,31-,34?,35-,36+,37-,38-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



School of Pharmacy and Pharmacology

Curated by ChEMBL


Assay Description
Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
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 8n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha7; Range is 0.5-8 nM


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50366779
PNG
(METHYLLYCACONITINE)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



School of Pharmacy and Pharmacology

Curated by ChEMBL


Assay Description
Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50366779
PNG
(METHYLLYCACONITINE)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-7 nAChR in tsA201 cells coexpressed with Ric3 by FMP assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50366779
PNG
(METHYLLYCACONITINE)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7nAChR co-expressed with human Ric3 in tsA201 cells by FMP assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50339937
PNG
(1,1',1''-(5,5',5''-(benzene-1,3,5-triyl)tris(penta...)
Show SMILES C(CCc1cc(CCCCC[n+]2cccc(c2)-c2ccccc2)cc(CCCCC[n+]2cccc(c2)-c2ccccc2)c1)CC[n+]1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C54H60N3/c1-10-25-49(26-11-1)52-31-19-37-55(43-52)34-16-4-7-22-46-40-47(23-8-5-17-35-56-38-20-32-53(44-56)50-27-12-2-13-28-50)42-48(41-46)24-9-6-18-36-57-39-21-33-54(45-57)51-29-14-3-15-30-51/h1-3,10-15,19-21,25-33,37-45H,4-9,16-18,22-24,34-36H2/q+3
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n/an/a 8.80n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha7 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-gated current by voltage clamp electrophysiology assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016209
PNG
(CHEMBL3262155)
Show SMILES Cl.Clc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C17H18ClN3O3.ClH/c18-13-3-5-15(6-4-13)24-17(22)21-9-8-20-10-14(21)12-23-16-2-1-7-19-11-16;/h1-7,11,14,20H,8-10,12H2;1H
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n/an/a 9.5n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50170600
PNG
((3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(...)
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 9.60n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50081729
PNG
(4-{5-[1-Aza-bicyclo[2.2.2]oct-(3Z)-ylidenemethyl]-...)
Show SMILES N#Cc1ccc(cc1)-c1cc(\C=C2/CN3CCC2CC3)on1
Show InChI InChI=1S/C18H17N3O/c19-11-13-1-3-15(4-2-13)18-10-17(22-20-18)9-16-12-21-7-5-14(16)6-8-21/h1-4,9-10,14H,5-8,12H2/b16-9+
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n/an/a>10n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.


Bioorg Med Chem Lett 9: 2795-800 (1999)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016210
PNG
(CHEMBL3262156)
Show SMILES Cl.COc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C18H21N3O4.ClH/c1-23-15-4-6-16(7-5-15)25-18(22)21-10-9-20-11-14(21)13-24-17-3-2-8-19-12-17;/h2-8,12,14,20H,9-11,13H2,1H3;1H
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n/an/a 11n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50081733
PNG
(3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...)
Show SMILES Cc1cc(\C=C2/CN3CCC2CC3)on1
Show InChI InChI=1S/C12H16N2O/c1-9-6-12(15-13-9)7-11-8-14-4-2-10(11)3-5-14/h6-7,10H,2-5,8H2,1H3/b11-7+
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n/an/a 12n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.


Bioorg Med Chem Lett 9: 2795-800 (1999)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat hipocampus


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat amygdala


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016227
PNG
(CHEMBL3262173)
Show SMILES Cl.O=C(Nc1ccc(cc1)-c1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C23H24N4O2.ClH/c28-23(26-20-10-8-19(9-11-20)18-5-2-1-3-6-18)27-14-13-25-15-21(27)17-29-22-7-4-12-24-16-22;/h1-12,16,21,25H,13-15,17H2,(H,26,28);1H
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n/an/a 13n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016225
PNG
(CHEMBL3262171)
Show SMILES Cl.Cc1cc(NC(=O)N2CCNCC2COc2cccnc2)ccc1Br
Show InChI InChI=1S/C18H21BrN4O2.ClH/c1-13-9-14(4-5-17(13)19)22-18(24)23-8-7-21-10-15(23)12-25-16-3-2-6-20-11-16;/h2-6,9,11,15,21H,7-8,10,12H2,1H3,(H,22,24);1H
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n/an/a 14n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(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 16n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.


Bioorg Med Chem Lett 9: 2795-800 (1999)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016197
PNG
(CHEMBL3262143)
Show SMILES Cl.Fc1cccc2sc(nc12)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H17FN4OS.ClH/c18-14-4-1-5-15-16(14)21-17(24-15)22-8-7-20-9-12(22)11-23-13-3-2-6-19-10-13;/h1-6,10,12,20H,7-9,11H2;1H
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n/an/a 17n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50088438
PNG
(1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...)
Show SMILES C1CNCCN(C1)c1cccnc1
Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2
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n/an/a 19n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Displacement of [3H]-alpha-bungarotoxin from alpha7 nicotine acetylcholine receptor in Wistar rat cerebral cortex after 2 hrs by liquid scintillation...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016217
PNG
(CHEMBL3262163)
Show SMILES Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1
Show InChI InChI=1S/C18H22N4O3.ClH/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17;/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23);1H/t15-;/m1./s1
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n/an/a 19n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016198
PNG
(CHEMBL3262144)
Show SMILES Cl.Fc1cc(F)c2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H16F2N4OS.ClH/c18-11-6-14(19)16-15(7-11)25-17(22-16)23-5-4-21-8-12(23)10-24-13-2-1-3-20-9-13;/h1-3,6-7,9,12,21H,4-5,8,10H2;1H
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n/an/a 19n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016179
PNG
(CHEMBL3262126)
Show SMILES Cl.COc1ccc2nc(oc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H20N4O3.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H
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n/an/a 22n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149146
PNG
((S)-3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo...)
Show SMILES C(O[C@@H]1CN2CCC1CC2)c1cc2ccccc2s1
Show InChI InChI=1S/C16H19NOS/c1-2-4-16-13(3-1)9-14(19-16)11-18-15-10-17-7-5-12(15)6-8-17/h1-4,9,12,15H,5-8,10-11H2/t15-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/a 28n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat cortex


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50170588
PNG
((3S)-3-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)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)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/C67H103N23O25S5/c1-120-16-12-31(53(102)80-35(19-47(70)94)56(105)84-38(20-48(71)95)66(115)90-15-4-6-44(90)63(112)83-37(22-51(99)100)58(107)79-33(17-29-8-10-30(92)11-9-29)54(103)86-40(25-116)52(72)101)77-55(104)34(18-46(69)93)81-61(110)43(28-119)88-64(113)45-7-3-14-89(45)65(114)32(5-2-13-75-67(73)74)78-57(106)36(21-50(97)98)82-59(108)39(24-91)85-62(111)42(27-118)87-60(109)41(26-117)76-49(96)23-68/h8-11,31-45,91-92,116-119H,2-7,12-28,68H2,1H3,(H2,69,93)(H2,70,94)(H2,71,95)(H2,72,101)(H,76,96)(H,77,104)(H,78,106)(H,79,107)(H,80,102)(H,81,110)(H,82,108)(H,83,112)(H,84,105)(H,85,111)(H,86,103)(H,87,109)(H,88,113)(H,97,98)(H,99,100)(H4,73,74,75)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016199
PNG
(CHEMBL3262145)
Show SMILES Cl.C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2s1
Show InChI InChI=1S/C16H17N5OS.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
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n/an/a 32n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016208
PNG
(CHEMBL3262154)
Show SMILES Cl.O=C(Oc1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H19N3O3.ClH/c21-17(23-15-5-2-1-3-6-15)20-10-9-19-11-14(20)13-22-16-7-4-8-18-12-16;/h1-8,12,14,19H,9-11,13H2;1H
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n/an/a 37n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016212
PNG
(CHEMBL3262158)
Show SMILES Cl.Clc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
Show InChI InChI=1S/C17H18Cl2N4O2.ClH/c18-15-4-3-12(8-16(15)19)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
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n/an/a 40n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016228
PNG
(CHEMBL3262174)
Show SMILES Cl.O=C(Nc1ccc(cc1)C(=O)c1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C24H24N4O3.ClH/c29-23(18-5-2-1-3-6-18)19-8-10-20(11-9-19)27-24(30)28-14-13-26-15-21(28)17-31-22-7-4-12-25-16-22;/h1-12,16,21,26H,13-15,17H2,(H,27,30);1H
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n/an/a 41n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016226
PNG
(CHEMBL3262172)
Show SMILES Cl.Fc1cc(Br)ccc1NC(=O)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H18BrFN4O2.ClH/c18-12-3-4-16(15(19)8-12)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
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n/an/a 42n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016222
PNG
(CHEMBL3262168)
Show SMILES Cl.COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
Show InChI InChI=1S/C18H21ClN4O3.ClH/c1-25-17-5-4-13(9-16(17)19)22-18(24)23-8-7-21-10-14(23)12-26-15-3-2-6-20-11-15;/h2-6,9,11,14,21H,7-8,10,12H2,1H3,(H,22,24);1H
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n/an/a 45n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50096268
PNG
(CHEMBL3593676)
Show SMILES CN1CCCN(CC1)c1cccnc1
Show InChI InChI=1S/C11H17N3/c1-13-6-3-7-14(9-8-13)11-4-2-5-12-10-11/h2,4-5,10H,3,6-9H2,1H3
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n/an/a 46n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Displacement of [3H]-alpha-bungarotoxin from alpha7 nicotine acetylcholine receptor in Wistar rat cerebral cortex after 2 hrs by liquid scintillation...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016189
PNG
(CHEMBL3262135)
Show SMILES Cl.COc1ccc2nc(sc2c1)N1CCNC[C@@H]1COc1cccnc1
Show InChI InChI=1S/C18H20N4O2S.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H/t13-;/m1./s1
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n/an/a 46n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016224
PNG
(CHEMBL3262170)
Show SMILES Cl.Brc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C17H19BrN4O2.ClH/c18-13-3-5-14(6-4-13)21-17(23)22-9-8-20-10-15(22)12-24-16-2-1-7-19-11-16;/h1-7,11,15,20H,8-10,12H2,(H,21,23);1H
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n/an/a 50n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50253820
PNG
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)
Show SMILES CC(C)C[C@@H]1NC(=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)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C68H100N18O23S4/c1-31(2)19-36-55(95)76-38(22-50(70)89)57(97)79-41(23-51(71)90)66(106)84-16-6-9-47(84)63(103)77-39(24-53(92)93)58(98)75-37(21-34-12-14-35(88)15-13-34)56(96)83-46(68(108)109)30-113-112-29-45-62(102)80-42(26-87)59(99)78-40(20-32(3)4)65(105)86-18-8-11-49(86)67(107)85-17-7-10-48(85)64(104)82-44(60(100)72-33(5)54(94)74-36)28-111-110-27-43(61(101)81-45)73-52(91)25-69/h12-15,31-33,36-49,87-88H,6-11,16-30,69H2,1-5H3,(H2,70,89)(H2,71,90)(H,72,100)(H,73,91)(H,74,94)(H,75,98)(H,76,95)(H,77,103)(H,78,99)(H,79,97)(H,80,102)(H,81,101)(H,82,104)(H,83,96)(H,92,93)(H,108,109)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149145
PNG
(3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo[2.2...)
Show SMILES C(OC1CN2CCC1CC2)c1cc2ccccc2s1
Show InChI InChI=1S/C16H19NOS/c1-2-4-16-13(3-1)9-14(19-16)11-18-15-10-17-7-5-12(15)6-8-17/h1-4,9,12,15H,5-8,10-11H2
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n/an/a 59n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016216
PNG
(CHEMBL3262162)
Show SMILES Cl.COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C18H22N4O3.ClH/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17;/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23);1H
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n/an/a 60n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50170603
PNG
((3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CO)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/C67H104N18O22S4/c1-31(2)19-36(55(95)78-41(25-86)59(99)77-40(22-50(69)89)66(106)83-16-6-9-47(83)63(103)75-38(23-52(91)92)57(97)74-37(21-34-12-14-35(88)15-13-34)56(96)80-43(27-108)53(70)93)73-54(94)33(5)71-60(100)45(29-110)82-64(104)48-10-7-17-84(48)67(107)49-11-8-18-85(49)65(105)39(20-32(3)4)76-58(98)42(26-87)79-62(102)46(30-111)81-61(101)44(28-109)72-51(90)24-68/h12-15,31-33,36-49,86-88,108-111H,6-11,16-30,68H2,1-5H3,(H2,69,89)(H2,70,93)(H,71,100)(H,72,90)(H,73,94)(H,74,97)(H,75,103)(H,76,98)(H,77,99)(H,78,95)(H,79,102)(H,80,96)(H,81,101)(H,82,104)(H,91,92)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016182
PNG
(CHEMBL3262129)
Show SMILES Cl.Brc1ccc2oc(nc2c1)N1CCNC[C@@H]1COc1cccnc1
Show InChI InChI=1S/C17H17BrN4O2.ClH/c18-12-3-4-16-15(8-12)21-17(24-16)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14;/h1-5,8,10,13,20H,6-7,9,11H2;1H/t13-;/m1./s1
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n/an/a 67n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016207
PNG
(CHEMBL3262153)
Show SMILES Cl.Clc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C17H19ClN4O2.ClH/c18-13-3-5-14(6-4-13)21-17(23)22-9-8-20-10-15(22)12-24-16-2-1-7-19-11-16;/h1-7,11,15,20H,8-10,12H2,(H,21,23);1H
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n/an/a 70n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016180
PNG
(CHEMBL3262127)
Show SMILES Cl.COc1ccc2oc(nc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H20N4O3.ClH/c1-23-14-4-5-17-16(9-14)21-18(25-17)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H
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n/an/a 71n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


Citation and Details
More data for this
Ligand-Target Pair
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