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Compile Data Set for Download or QSAR

Found 1106 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-7 subunit'   
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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PubMed
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


J Med Chem 48: 4705-45 (2005)

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
PDB

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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


J Med Chem 48: 4705-45 (2005)

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
PDB

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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


J Med Chem 54: 7943-61 (2011)

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


J Med Chem 48: 4705-45 (2005)

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


J Med Chem 48: 4705-45 (2005)

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


J Med Chem 48: 4705-45 (2005)

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


(Homo sapiens (human))
BDBM50175606
PNG
(CHEMBL3302240)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN)c1=O
Show InChI InChI=1S/C27H50N4O8SSi2/c1-18-15-31(24(33)30(22(18)32)14-12-13-28)23-21(38-42(10,11)26(5,6)7)27(19(29)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23H,12-14,16,28-29H2,1-11H3
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n/an/a 6n/an/an/an/an/an/a



Retrophin, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR (unknown origin)


Bioorg Med Chem Lett 26: 3010-3 (2016)

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


J Med Chem 48: 4705-45 (2005)

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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PubMed
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


J Med Chem 50: 4616-29 (2007)

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


J Med Chem 50: 4616-29 (2007)

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


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

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


J Med Chem 48: 4705-45 (2005)

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


(Homo sapiens (human))
BDBM50175589
PNG
(CHEMBL3302229)
Show SMILES COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1/C18H22N4O3/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)
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n/an/a 11n/an/an/an/an/an/a



Retrophin, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR (unknown origin)


Bioorg Med Chem Lett 26: 3010-3 (2016)

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


(Homo sapiens (human))
BDBM50175603
PNG
(CHEMBL3303977)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCCO)c1=O
Show InChI InChI=1S/C28H51N3O9SSi2/c1-19-16-31(25(34)30(23(19)33)14-12-13-15-32)24-22(39-43(10,11)27(5,6)7)28(20(29)18-41(35,36)40-28)21(38-24)17-37-42(8,9)26(2,3)4/h16,18,21-22,24,32H,12-15,17,29H2,1-11H3
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n/an/a 19n/an/an/an/an/an/a



Retrophin, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR (unknown origin)


Bioorg Med Chem Lett 26: 3010-3 (2016)

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


J Med Chem 48: 4705-45 (2005)

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


J Med Chem 48: 4705-45 (2005)

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


(Homo sapiens (human))
BDBM50339936
PNG
(2,2',2''-(5,5',5''-(benzene-1,3,5-triyl)tris(penta...)
Show SMILES C(CCc1cc(CCCCC[n+]2ccc3ccccc3c2)cc(CCCCC[n+]2ccc3ccccc3c2)c1)CC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C48H54N3/c1(13-28-49-31-25-43-19-7-10-22-46(43)37-49)4-16-40-34-41(17-5-2-14-29-50-32-26-44-20-8-11-23-47(44)38-50)36-42(35-40)18-6-3-15-30-51-33-27-45-21-9-12-24-48(45)39-51/h7-12,19-27,31-39H,1-6,13-18,28-30H2/q+3
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n/an/a 91n/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


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

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


(Homo sapiens (human))
BDBM50339938
PNG
(1,1',1'',1'''-(5,5',5'',5'''-(benzene-1,2,4,5-tetr...)
Show SMILES C(CCc1cc(CCCCC[n+]2cccc(c2)-c2ccccc2)c(CCCCC[n+]2cccc(c2)-c2ccccc2)cc1CCCCC[n+]1cccc(c1)-c1ccccc1)CC[n+]1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C70H78N4/c1-9-29-59(30-10-1)67-41-25-49-71(55-67)45-21-5-17-37-63-53-65(39-19-7-23-47-73-51-27-43-69(57-73)61-33-13-3-14-34-61)66(40-20-8-24-48-74-52-28-44-70(58-74)62-35-15-4-16-36-62)54-64(63)38-18-6-22-46-72-50-26-42-68(56-72)60-31-11-2-12-32-60/h1-4,9-16,25-36,41-44,49-58H,5-8,17-24,37-40,45-48H2/q+4
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n/an/a 99n/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


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

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


(Homo sapiens (human))
BDBM50445327
PNG
(CHEMBL3104240)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C
Show InChI InChI=1S/C65H98N24O20S4/c1-6-29(4)50-63(107)83-39(51(70)95)22-110-112-25-42-59(103)82-38(21-90)56(100)80-36(14-32-20-72-27-74-32)64(108)88-11-7-9-43(88)60(104)75-30(5)52(96)84-41(24-113-111-23-40(57(101)85-42)76-48(94)18-66)58(102)77-35(16-46(68)92)55(99)86-49(28(2)3)62(106)79-34(15-45(67)91)53(97)81-37(17-47(69)93)65(109)89-12-8-10-44(89)61(105)78-33(54(98)87-50)13-31-19-71-26-73-31/h19-20,26-30,33-44,49-50,90H,6-18,21-25,66H2,1-5H3,(H2,67,91)(H2,68,92)(H2,69,93)(H2,70,95)(H,71,73)(H,72,74)(H,75,104)(H,76,94)(H,77,102)(H,78,105)(H,79,106)(H,80,100)(H,81,97)(H,82,103)(H,83,107)(H,84,96)(H,85,101)(H,86,99)(H,87,98)/t29-,30-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-,50-/m0/s1
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n/an/a 103n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of alpha7 nAChR (unknown origin) expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 9655-63 (2014)

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


(Homo sapiens (human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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n/an/a 110n/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


J Med Chem 48: 4705-45 (2005)

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


(Homo sapiens (human))
BDBM50339935
PNG
(1,1',1''-(5,5',5''-(benzene-1,3,5-triyl)tris(penta...)
Show SMILES C(CCc1cc(CCCCC[n+]2cccc3ccccc23)cc(CCCCC[n+]2cccc3ccccc23)c1)CC[n+]1cccc2ccccc12
Show InChI InChI=1S/C48H54N3/c1(13-31-49-34-16-25-43-22-7-10-28-46(43)49)4-19-40-37-41(20-5-2-14-32-50-35-17-26-44-23-8-11-29-47(44)50)39-42(38-40)21-6-3-15-33-51-36-18-27-45-24-9-12-30-48(45)51/h7-12,16-18,22-30,34-39H,1-6,13-15,19-21,31-33H2/q+3
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n/an/a 170n/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


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

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


(Homo sapiens (human))
BDBM50339933
PNG
(1,1',1'',1'''-(5,5',5'',5'''-(benzene-1,2,4,5-tetr...)
Show SMILES C(CC#Cc1cc(C#CCCC[n+]2cccc(c2)-c2ccccc2)c(cc1C#CCCC[n+]1cccc(c1)-c1ccccc1)C#CCCC[n+]1cccc(c1)-c1ccccc1)C[n+]1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C70H62N4/c1-9-29-59(30-10-1)67-41-25-49-71(55-67)45-21-5-17-37-63-53-65(39-19-7-23-47-73-51-27-43-69(57-73)61-33-13-3-14-34-61)66(40-20-8-24-48-74-52-28-44-70(58-74)62-35-15-4-16-36-62)54-64(63)38-18-6-22-46-72-50-26-42-68(56-72)60-31-11-2-12-32-60/h1-4,9-16,25-36,41-44,49-58H,5-8,21-24,45-48H2/q+4
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n/an/a 185n/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


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

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


(Homo sapiens (human))
BDBM50170593
PNG
((3S)-3-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-...)
Show SMILES C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C49H77N19O14S3/c1-23(39(74)63-29(15-24-18-58-26-8-3-2-7-25(24)26)41(76)61-27(38(51)73)9-4-12-56-48(52)53)59-43(78)33(21-84)66-40(75)28(10-5-13-57-49(54)55)62-46(81)35-11-6-14-68(35)47(82)30(16-37(71)72)64-42(77)31(19-69)65-45(80)34(22-85)67-44(79)32(20-83)60-36(70)17-50/h2-3,7-8,18,23,27-35,58,69,83-85H,4-6,9-17,19-22,50H2,1H3,(H2,51,73)(H,59,78)(H,60,70)(H,61,76)(H,62,81)(H,63,74)(H,64,77)(H,65,80)(H,66,75)(H,67,79)(H,71,72)(H4,52,53,56)(H4,54,55,57)/t23-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
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n/an/a 200n/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 100-200 nM


J Med Chem 48: 4705-45 (2005)

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


(Homo sapiens (human))
BDBM50220056
PNG
((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-24...)
Show SMILES C=CC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CC=C)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1
Show InChI InChI=1S/C44H52N4O2/c1-3-18-47-20-14-31-36(47)24-32-28(26-47)15-22-49-42-38(32)40(31)45(30-10-6-5-7-11-30)43-39-33-25-37-44(34-12-8-9-13-35(34)46(42)41(39)44)17-21-48(37,19-4-2)27-29(33)16-23-50-43/h3-13,15-16,31-33,36-43H,1-2,14,17-27H2/q+2/t31-,32-,33-,36-,37-,38+,39+,40+,41-,42+,43+,44+,47?,48?/m0/s1
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n/an/a 280n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50220054
PNG
((1R,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-24...)
Show SMILES C=CC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5CN6CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1
Show InChI InChI=1S/C41H47N4O2/c1-2-17-45-18-12-28-33(45)21-29-26(24-45)14-20-46-39-35(29)37(28)43(27-8-4-3-5-9-27)40-36-30-22-34-41(15-16-42(34)23-25(30)13-19-47-40)31-10-6-7-11-32(31)44(39)38(36)41/h2-11,13-14,28-30,33-40H,1,12,15-24H2/q+1/t28-,29-,30-,33-,34-,35+,36+,37+,38-,39+,40+,41+,45?/m0/s1
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n/an/a 340n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50220043
PNG
((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Show SMILES [O-][N+](=O)c1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H]2[C@@H]5[C@@H]4N([C@@H]4OCC=C6C[N+]7(Cc8ccc(cc8)[N+]([O-])=O)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]4[C@@H]8N([C@@H]5OCC=C2C3)c2ccccc92)c2ccccc2)cc1
Show InChI InChI=1S/C52H54N6O6/c59-55(60)37-14-10-32(11-15-37)28-57-22-18-39-44(57)26-40-34(30-57)19-24-63-50-46(40)48(39)53(36-6-2-1-3-7-36)51-47-41-27-45-52(42-8-4-5-9-43(42)54(50)49(47)52)21-23-58(45,31-35(41)20-25-64-51)29-33-12-16-38(17-13-33)56(61)62/h1-17,19-20,39-41,44-51H,18,21-31H2/q+2/t39-,40-,41-,44-,45-,46+,47+,48+,49-,50+,51+,52+,57?,58?/m0/s1
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n/an/a 360n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50220043
PNG
((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Show SMILES [O-][N+](=O)c1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H]2[C@@H]5[C@@H]4N([C@@H]4OCC=C6C[N+]7(Cc8ccc(cc8)[N+]([O-])=O)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]4[C@@H]8N([C@@H]5OCC=C2C3)c2ccccc92)c2ccccc2)cc1
Show InChI InChI=1S/C52H54N6O6/c59-55(60)37-14-10-32(11-15-37)28-57-22-18-39-44(57)26-40-34(30-57)19-24-63-50-46(40)48(39)53(36-6-2-1-3-7-36)51-47-41-27-45-52(42-8-4-5-9-43(42)54(50)49(47)52)21-23-58(45,31-35(41)20-25-64-51)29-33-12-16-38(17-13-33)56(61)62/h1-17,19-20,39-41,44-51H,18,21-31H2/q+2/t39-,40-,41-,44-,45-,46+,47+,48+,49-,50+,51+,52+,57?,58?/m0/s1
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n/an/a 370n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50170597
PNG
((3S)-3-[(2S)-2-(2-{2-[(2S)-2-aminopropanamido]acet...)
Show SMILES C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C52H87N25O14S/c1-25(53)41(84)69-21-37(79)68-22-38(80)70-35(23-78)47(90)76-34(19-39(81)82)46(89)73-30(11-5-15-64-50(57)58)42(85)72-32(13-7-17-66-52(61)62)44(87)77-36(24-92)48(91)74-31(12-6-16-65-51(59)60)43(86)75-33(18-26-20-67-28-9-3-2-8-27(26)28)45(88)71-29(40(54)83)10-4-14-63-49(55)56/h2-3,8-9,20,25,29-36,67,78,92H,4-7,10-19,21-24,53H2,1H3,(H2,54,83)(H,68,79)(H,69,84)(H,70,80)(H,71,88)(H,72,85)(H,73,89)(H,74,91)(H,75,86)(H,76,90)(H,77,87)(H,81,82)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)/t25-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 441n/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


J Med Chem 48: 4705-45 (2005)

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


(Homo sapiens (human))
BDBM50025032
PNG
(CHEMBL3337862)
Show SMILES [I-].[I-].CC[C@@H]1C[N+]2(C)CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(C)C[C@H]1CCO)c1ccccc21
Show InChI InChI=1/C40H50N4O.2HI/c1-4-25-23-43(2)16-14-39-31-9-5-8-12-34(31)42-22-30-28-20-36-40(15-17-44(36,3)24-26(28)13-18-45)32-10-6-7-11-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h5-12,21-22,25-28,35-38,45H,4,13-20,23-24H2,1-3H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/s2
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n/an/a 590n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay


J Nat Prod 77: 2006-13 (2014)

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


(Homo sapiens (human))
BDBM50445329
PNG
(CHEMBL3104242)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc3c[nH]c4ccccc34)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/C52H78N20O15S4/c1-24-41(78)66-30(15-25-18-61-27-8-3-2-7-26(25)27)44(81)64-28(9-4-12-59-51(55)56)42(79)69-33(40(54)77)20-88-90-23-36-48(85)68-32(19-73)45(82)67-31(16-39(75)76)50(87)72-14-6-11-37(72)49(86)65-29(10-5-13-60-52(57)58)43(80)70-35(46(83)62-24)22-91-89-21-34(47(84)71-36)63-38(74)17-53/h2-3,7-8,18,24,28-37,61,73H,4-6,9-17,19-23,53H2,1H3,(H2,54,77)(H,62,83)(H,63,74)(H,64,81)(H,65,86)(H,66,78)(H,67,82)(H,68,85)(H,69,79)(H,70,80)(H,71,84)(H,75,76)(H4,55,56,59)(H4,57,58,60)/t24-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 595n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of human alpha7 nAChR


J Med Chem 56: 9655-63 (2014)

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


(Homo sapiens (human))
BDBM50393254
PNG
(CHEMBL2151574)
Show SMILES CC[C@@H]1CC[C@@H](CC=C)N2CCCC[C@@H]12
Show InChI InChI=1S/C14H25N/c1-3-7-13-10-9-12(4-2)14-8-5-6-11-15(13)14/h3,12-14H,1,4-11H2,2H3/t12-,13-,14+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Antagonist activity at alpha7 nAChR assessed as amplitude of acetylcholine evoked currents


J Med Chem 54: 7943-61 (2011)

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


(Homo sapiens (human))
BDBM50025032
PNG
(CHEMBL3337862)
Show SMILES [I-].[I-].CC[C@@H]1C[N+]2(C)CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(C)C[C@H]1CCO)c1ccccc21
Show InChI InChI=1/C40H50N4O.2HI/c1-4-25-23-43(2)16-14-39-31-9-5-8-12-34(31)42-22-30-28-20-36-40(15-17-44(36,3)24-26(28)13-18-45)32-10-6-7-11-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h5-12,21-22,25-28,35-38,45H,4,13-20,23-24H2,1-3H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/s2
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n/an/a 603n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay


J Nat Prod 77: 2006-13 (2014)

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


(Homo sapiens (human))
BDBM50025028
PNG
(CHEMBL3337866)
Show SMILES [I-].[I-].CC[C@@H]1C[N+]2(C)CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(C)C[C@H]1CC)c1ccccc21
Show InChI InChI=1/C40H50N4.2HI/c1-5-25-23-43(3)17-15-39-31-11-7-10-14-34(31)42-22-30-28-20-36-40(16-18-44(36,4)24-26(28)6-2)32-12-8-9-13-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h7-14,21-22,25-28,35-38H,5-6,15-20,23-24H2,1-4H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/s2
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n/an/a 813n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay


J Nat Prod 77: 2006-13 (2014)

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


(Homo sapiens (human))
BDBM50025028
PNG
(CHEMBL3337866)
Show SMILES [I-].[I-].CC[C@@H]1C[N+]2(C)CC[C@@]34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(C)C[C@H]1CC)c1ccccc21
Show InChI InChI=1/C40H50N4.2HI/c1-5-25-23-43(3)17-15-39-31-11-7-10-14-34(31)42-22-30-28-20-36-40(16-18-44(36,4)24-26(28)6-2)32-12-8-9-13-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h7-14,21-22,25-28,35-38H,5-6,15-20,23-24H2,1-4H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/s2
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n/an/a 820n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay


J Nat Prod 77: 2006-13 (2014)

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


(Homo sapiens (human))
BDBM50267844
PNG
(3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylox...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1
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n/an/a 880n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as inhibition of acetylcholine-evoked current


J Med Chem 52: 2372-83 (2009)

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>1.00E+3n/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


J Med Chem 48: 4705-45 (2005)

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


(Homo sapiens (human))
BDBM50220053
PNG
((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Show SMILES C\C=C\C[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(C\C=C\C)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1
Show InChI InChI=1S/C46H56N4O2/c1-3-5-20-49-22-16-33-38(49)26-34-30(28-49)17-24-51-44-40(34)42(33)47(32-12-8-7-9-13-32)45-41-35-27-39-46(36-14-10-11-15-37(36)48(44)43(41)46)19-23-50(39,21-6-4-2)29-31(35)18-25-52-45/h3-15,17-18,33-35,38-45H,16,19-29H2,1-2H3/q+2/b5-3+,6-4+/t33-,34-,35-,38-,39-,40+,41+,42+,43-,44+,45+,46+,49?,50?/m0/s1
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n/an/a 1.15E+3n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50339931
PNG
(1,1'-(3,3'-(biphenyl-4,4'-diyl)bis(prop-2-yne-3,1-...)
Show SMILES Cc1cc[n+](CC#Cc2ccc(cc2)-c2ccc(cc2)C#CC[n+]2ccc(C)c(C)c2)cc1C
Show InChI InChI=1S/C32H30N2/c1-25-17-21-33(23-27(25)3)19-5-7-29-9-13-31(14-10-29)32-15-11-30(12-16-32)8-6-20-34-22-18-26(2)28(4)24-34/h9-18,21-24H,19-20H2,1-4H3/q+2
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n/an/a 1.19E+3n/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


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

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


(Homo sapiens (human))
BDBM50045047
PNG
(DEXMECAMYLAMINE | Dexmecamylamine | TC-5214)
Show SMILES CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C
Show InChI InChI=1/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11-/s2
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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR


J Med Chem 57: 8204-23 (2014)

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


(Homo sapiens (human))
BDBM50220057
PNG
((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Show SMILES COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H]2[C@@H]5[C@@H]4N([C@@H]4OCC=C6C[N+]7(Cc8ccc(OC)c(OC)c8)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]4[C@@H]8N([C@@H]5OCC=C2C3)c2ccccc92)c2ccccc2)cc1OC
Show InChI InChI=1S/C56H64N4O6/c1-61-45-16-14-34(26-47(45)63-3)30-59-22-18-39-44(59)28-40-36(32-59)19-24-65-54-50(40)52(39)57(38-10-6-5-7-11-38)55-51-41-29-49-56(42-12-8-9-13-43(42)58(54)53(51)56)21-23-60(49,33-37(41)20-25-66-55)31-35-15-17-46(62-2)48(27-35)64-4/h5-17,19-20,26-27,39-41,44,49-55H,18,21-25,28-33H2,1-4H3/q+2/t39-,40-,41-,44-,49-,50+,51+,52+,53-,54+,55+,56+,59?,60?/m0/s1
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n/an/a 1.32E+3n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50220051
PNG
((1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-35-(2...)
Show SMILES C[N+]12CC[C@H]3[C@@H]1C[C@@H](\C(C2)=C/CO)\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@H]7[C@@]4(CC[N+]7(C)CC6=CCO[C@H]5N([C@H]31)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C40H48N4O2/c1-43-16-12-28-34(43)20-29(25(23-43)13-18-45)31-22-41-33-11-7-6-10-32(33)40-15-17-44(2)24-26-14-19-46-39(36(38(40)41)30(26)21-35(40)44)42(37(28)31)27-8-4-3-5-9-27/h3-11,13-14,22,28-30,34-39,45H,12,15-21,23-24H2,1-2H3/q+2/b25-13-,31-22-/t28-,29?,30-,34-,35-,36+,37+,38-,39+,40+,43?,44?/m0/s1
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n/an/a 1.40E+3n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50220049
PNG
((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Show SMILES C[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(C)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1
Show InChI InChI=1S/C40H48N4O2/c1-43-16-12-27-32(43)20-28-24(22-43)13-18-45-38-34(28)36(27)41(26-8-4-3-5-9-26)39-35-29-21-33-40(15-17-44(33,2)23-25(29)14-19-46-39)30-10-6-7-11-31(30)42(38)37(35)40/h3-11,13-14,27-29,32-39H,12,15-23H2,1-2H3/q+2/t27-,28-,29-,32-,33-,34+,35+,36+,37-,38+,39+,40+,43?,44?/m0/s1
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n/an/a 1.50E+3n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50220049
PNG
((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Show SMILES C[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(C)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1
Show InChI InChI=1S/C40H48N4O2/c1-43-16-12-27-32(43)20-28-24(22-43)13-18-45-38-34(28)36(27)41(26-8-4-3-5-9-26)39-35-29-21-33-40(15-17-44(33,2)23-25(29)14-19-46-39)30-10-6-7-11-31(30)42(38)37(35)40/h3-11,13-14,27-29,32-39H,12,15-23H2,1-2H3/q+2/t27-,28-,29-,32-,33-,34+,35+,36+,37-,38+,39+,40+,43?,44?/m0/s1
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n/an/a 1.50E+3n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50220059
PNG
(2-[(1R,11S,13S,17S,18R,20R,27S,29R,30R,31S,35E)-19...)
Show SMILES OC\C=C1\CN2CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c4ccccc24)CC6=CCO[C@H]5N([C@H]31)c1ccccc1
Show InChI InChI=1S/C38H42N4O2/c43-16-11-23-20-39-14-10-26-32(39)18-27(23)29-22-41-31-9-5-4-8-30(31)38-13-15-40-21-24-12-17-44-37(34(36(38)41)28(24)19-33(38)40)42(35(26)29)25-6-2-1-3-7-25/h1-9,11-12,22,26-28,32-37,43H,10,13-21H2/b23-11-,29-22-/t26-,27?,28-,32-,33-,34+,35+,36-,37+,38+/m0/s1
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n/an/a 1.50E+3n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50339934
PNG
(1,1'-(3,3'-(biphenyl-4,4'-diyl)bis(propane-3,1-diy...)
Show SMILES Cc1cc[n+](CCCc2ccc(cc2)-c2ccc(CCC[n+]3ccc(C)c(C)c3)cc2)cc1C
Show InChI InChI=1S/C32H38N2/c1-25-17-21-33(23-27(25)3)19-5-7-29-9-13-31(14-10-29)32-15-11-30(12-16-32)8-6-20-34-22-18-26(2)28(4)24-34/h9-18,21-24H,5-8,19-20H2,1-4H3/q+2
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n/an/a 1.51E+3n/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


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

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


(Homo sapiens (human))
BDBM50220040
PNG
((1R,9R,18S,19S,21R,22R,23R,25R,32S,34R,35R,36S)-24...)
Show SMILES C1CN2CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2CN3CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)c1ccccc1
Show InChI InChI=1S/C38H42N4O2/c1-2-6-24(7-3-1)41-34-25-10-14-39-20-22-11-16-43-36(32(34)26(22)18-30(25)39)42-29-9-5-4-8-28(29)38-13-15-40-21-23-12-17-44-37(41)33(35(38)42)27(23)19-31(38)40/h1-9,11-12,25-27,30-37H,10,13-21H2/t25-,26-,27-,30-,31-,32+,33+,34+,35-,36+,37+,38+/m0/s1
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n/an/a 1.60E+3n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50045046
PNG
(CHEMBL3341962)
Show SMILES CNC1(C)[C@H]2CC[C@H](C2)C1(C)C
Show InChI InChI=1/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11?/s2
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Non-competitive antagonist activity at alpha7 nAChR (unknown origin)


J Med Chem 57: 8204-23 (2014)

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


(Homo sapiens (human))
BDBM50220048
PNG
((1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15...)
Show SMILES CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CCOC(C)=O)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1
Show InChI InChI=1S/C46H56N4O6/c1-28(51)53-22-18-49-16-12-33-38(49)24-34-30(26-49)13-20-55-44-40(34)42(33)47(32-8-4-3-5-9-32)45-41-35-25-39-46(36-10-6-7-11-37(36)48(44)43(41)46)15-17-50(39,19-23-54-29(2)52)27-31(35)14-21-56-45/h3-11,13-14,33-35,38-45H,12,15-27H2,1-2H3/q+2/t33-,34-,35-,38-,39-,40+,41+,42+,43-,44+,45+,46+,49?,50?/m0/s1
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n/an/a 1.62E+3n/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


J Med Chem 50: 4616-29 (2007)

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


(Homo sapiens (human))
BDBM50267883
PNG
(8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d]cyclohept...)
Show SMILES C(N1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2
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n/an/a 1.73E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as inhibition of acetylcholine-evoked current


J Med Chem 52: 2372-83 (2009)

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


(Homo sapiens (human))
BDBM50369323
PNG
(MECAMYLAMINE)
Show SMILES CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C
Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block activation of acetylcholine-stimulated currents in human alpha-7 homomers expressed in oocytes


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
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