Compile Data Set for Download or QSAR
Found 49 Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor subunit epsilon'
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516992(CHEMBL4473371)
Show SMILES COc1cccc(c1)-n1c(S)nnc1-c1ccc(nc1)-c1nnc(S)n1-c1cccc(OC)c1
Show InChI InChI=1S/C23H19N7O2S2/c1-31-17-7-3-5-15(11-17)29-20(25-27-22(29)33)14-9-10-19(24-13-14)21-26-28-23(34)30(21)16-6-4-8-18(12-16)32-2/h3-13H,1-2H3,(H,27,33)(H,28,34)
Affinity DataKi:  3.10nMAssay Description:Inhibition of AChE (unknown origin) by spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
Affinity DataKi:  152nMAssay Description:Inhibition of AChE (unknown origin) by spectrophotometric analysisMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516973(CHEMBL4469361)
Show SMILES CNC(=O)NNC(=O)n1nc(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H16N6O2/c1-18-16(24)20-21-17(25)23-15(13-10-6-3-7-11-13)19-14(22-23)12-8-4-2-5-9-12/h2-11H,1H3,(H,21,25)(H2,18,20,24)
Affinity DataIC50: 0.540nMAssay Description:Inhibition of AChE from human erythrocytesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516953(CHEMBL4448499)
Show SMILES Brc1ccc(Cn2nc(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H16BrN3/c22-19-13-11-16(12-14-19)15-25-21(18-9-5-2-6-10-18)23-20(24-25)17-7-3-1-4-8-17/h1-14H,15H2
Affinity DataIC50: 0.610nMAssay Description:Inhibition of AChE from human erythrocytesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524696(CHEMBL4571835)
Show SMILES CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N(C)C
Show InChI InChI=1S/C17H23N3O2/c1-6-20(5)17(21)22-15-11-14(12(2)19(3)4)10-13-8-7-9-18-16(13)15/h7-12H,6H2,1-5H3
Affinity DataIC50: 1.20nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516960(CHEMBL4435544)
Show SMILES O=c1ccc2ccc(OCCCCCCCn3cc(CNc4c5CCCCc5nc5ccccc45)nn3)cc2o1
Show InChI InChI=1S/C32H35N5O3/c38-31-17-15-23-14-16-25(20-30(23)40-31)39-19-9-3-1-2-8-18-37-22-24(35-36-37)21-33-32-26-10-4-6-12-28(26)34-29-13-7-5-11-27(29)32/h4,6,10,12,14-17,20,22H,1-3,5,7-9,11,13,18-19,21H2,(H,33,34)
Affinity DataIC50: 6nMAssay Description:Inhibition of AChE (unknown origin) after 2 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524701(CHEMBL4594074)
Show SMILES CC(N1CCOCC1)c1cc(OC(=O)N2CCOCC2)c2ncccc2c1
Show InChI InChI=1S/C20H25N3O4/c1-15(22-5-9-25-10-6-22)17-13-16-3-2-4-21-19(16)18(14-17)27-20(24)23-7-11-26-12-8-23/h2-4,13-15H,5-12H2,1H3
Affinity DataIC50: 8.30nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524708(CHEMBL4459614)
Show SMILES CC(N(C)C)c1cc(OC(=O)N2CCOCC2)c2ncccc2c1
Show InChI InChI=1S/C18H23N3O3/c1-13(20(2)3)15-11-14-5-4-6-19-17(14)16(12-15)24-18(22)21-7-9-23-10-8-21/h4-6,11-13H,7-10H2,1-3H3
Affinity DataIC50: 8.80nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
Affinity DataIC50: 9nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524697(CHEMBL4470950)
Show SMILES CCN(CC)C(=O)Oc1cc(cc2cccnc12)C(C)N(C)C
Show InChI InChI=1S/C18H25N3O2/c1-6-21(7-2)18(22)23-16-12-15(13(3)20(4)5)11-14-9-8-10-19-17(14)16/h8-13H,6-7H2,1-5H3
Affinity DataIC50: 14nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524707(CHEMBL4468053)
Show SMILES CC(N(C)C)c1cc(OC(=O)N(C)C)c2ncccc2c1
Show InChI InChI=1S/C16H21N3O2/c1-11(18(2)3)13-9-12-7-6-8-17-15(12)14(10-13)21-16(20)19(4)5/h6-11H,1-5H3
Affinity DataIC50: 16nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524705(CHEMBL4452617)
Show SMILES CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N1CCCC1
Show InChI InChI=1S/C19H25N3O2/c1-4-21(3)19(23)24-17-13-16(14(2)22-10-5-6-11-22)12-15-8-7-9-20-18(15)17/h7-9,12-14H,4-6,10-11H2,1-3H3
Affinity DataIC50: 18nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524698(CHEMBL4452986)
Show SMILES CC(N(C)C)c1cc(OC(=O)N2CCCCC2)c2ncccc2c1
Show InChI InChI=1S/C19H25N3O2/c1-14(21(2)3)16-12-15-8-7-9-20-18(15)17(13-16)24-19(23)22-10-5-4-6-11-22/h7-9,12-14H,4-6,10-11H2,1-3H3
Affinity DataIC50: 21nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516959(CHEMBL4471876)
Show SMILES Cc1cc(=O)oc2cc(OCCCCCn3cc(CNc4c5CCCCc5nc5cc(Cl)ccc45)nn3)ccc12
Show InChI InChI=1S/C31H32ClN5O3/c1-20-15-30(38)40-29-17-23(10-12-24(20)29)39-14-6-2-5-13-37-19-22(35-36-37)18-33-31-25-7-3-4-8-27(25)34-28-16-21(32)9-11-26(28)31/h9-12,15-17,19H,2-8,13-14,18H2,1H3,(H,33,34)
Affinity DataIC50: 27nMAssay Description:Inhibition of AChE (unknown origin) after 2 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524706(CHEMBL4566337)
Show SMILES CC(N(C)C)c1cc(OC(=O)N2CCCC2)c2ncccc2c1
Show InChI InChI=1S/C18H23N3O2/c1-13(20(2)3)15-11-14-7-6-8-19-17(14)16(12-15)23-18(22)21-9-4-5-10-21/h6-8,11-13H,4-5,9-10H2,1-3H3
Affinity DataIC50: 29nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524703(CHEMBL4443818)
Show SMILES CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N1CCCCC1
Show InChI InChI=1S/C20H27N3O2/c1-4-22(3)20(24)25-18-14-17(13-16-9-8-10-21-19(16)18)15(2)23-11-6-5-7-12-23/h8-10,13-15H,4-7,11-12H2,1-3H3
Affinity DataIC50: 29nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524709(CHEMBL4471688)
Show SMILES CCN(C)C(C)c1cc(OC(=O)N(C)CC)c2ncccc2c1
Show InChI InChI=1S/C18H25N3O2/c1-6-20(4)13(3)15-11-14-9-8-10-19-17(14)16(12-15)23-18(22)21(5)7-2/h8-13H,6-7H2,1-5H3
Affinity DataIC50: 41nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524702(CHEMBL4517494)
Show SMILES CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N(CC)CC
Show InChI InChI=1S/C19H27N3O2/c1-6-21(5)19(23)24-17-13-16(14(4)22(7-2)8-3)12-15-10-9-11-20-18(15)17/h9-14H,6-8H2,1-5H3
Affinity DataIC50: 41nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
Affinity DataIC50: 44nMAssay Description:Inhibition of acetylcholinesteraseMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516976(CHEMBL4518438)
Show SMILES Cc1nn(CC(=O)N\N=C\c2ccccc2)c(=O)n1-c1ccc(cc1)C(=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C26H23N7O3/c1-19-31-32(18-24(34)29-27-16-20-8-4-2-5-9-20)26(36)33(19)23-14-12-22(13-15-23)25(35)30-28-17-21-10-6-3-7-11-21/h2-17H,18H2,1H3,(H,29,34)(H,30,35)/b27-16+,28-17+
Affinity DataIC50: 47nMAssay Description:Inhibition of AChE (unknown origin) by Ellman's methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524700(CHEMBL4535921)
Show SMILES CC(N1CCOCC1)c1cc(OC(=O)N2CCCC2)c2ncccc2c1
Show InChI InChI=1S/C20H25N3O3/c1-15(22-9-11-25-12-10-22)17-13-16-5-4-6-21-19(16)18(14-17)26-20(24)23-7-2-3-8-23/h4-6,13-15H,2-3,7-12H2,1H3
Affinity DataIC50: 49nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50459975(CHEMBL4228909)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C112H175N37O26S2/c1-5-62(4)89(108(173)148-46-18-30-84(148)97(162)133-70(23-11-39-125-111(118)119)105(170)144-42-13-25-79(144)96(161)132-68(21-7-9-37-114)103(168)145-43-14-26-80(145)98(163)134-71(109(174)175)24-12-40-126-112(120)121)142-93(158)73(49-63-32-34-66(150)35-33-63)136-91(156)74(50-64-54-122-59-128-64)137-94(159)77-57-176-177-58-78(95(160)139-76(51-65-55-123-60-129-65)106(171)149-47-19-31-85(149)107(172)147-45-17-29-83(147)101(166)140-77)141-100(165)82-28-16-44-146(82)104(169)69(22-10-38-124-110(116)117)131-90(155)72(48-61(2)3)135-92(157)75(52-88(153)154)138-99(164)81-27-15-41-143(81)102(167)67(20-6-8-36-113)130-87(152)56-127-86(151)53-115/h32-35,54-55,59-62,67-85,89,150H,5-31,36-53,56-58,113-115H2,1-4H3,(H,122,128)(H,123,129)(H,127,151)(H,130,152)(H,131,155)(H,132,161)(H,133,162)(H,134,163)(H,135,157)(H,136,156)(H,137,159)(H,138,164)(H,139,160)(H,140,166)(H,141,165)(H,142,158)(H,153,154)(H,174,175)(H4,116,117,124)(H4,118,119,125)(H4,120,121,126)/t62-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,89-/m0/s1
Affinity DataIC50: 50nMAssay Description:Inhibition of nAChR epsilon (unknown origin)More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524704(CHEMBL4446271)
Show SMILES CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N1CCN(C)CC1
Show InChI InChI=1S/C20H28N4O2/c1-5-23(4)20(25)26-18-14-17(13-16-7-6-8-21-19(16)18)15(2)24-11-9-22(3)10-12-24/h6-8,13-15H,5,9-12H2,1-4H3
Affinity DataIC50: 55nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516974(CHEMBL4516351)
Show SMILES Cc1nn(CC(=O)N\N=C\c2ccc(Cl)cc2)c(=O)n1-c1ccc(cc1)C(=O)N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C26H21Cl2N7O3/c1-17-33-34(16-24(36)31-29-14-18-2-8-21(27)9-3-18)26(38)35(17)23-12-6-20(7-13-23)25(37)32-30-15-19-4-10-22(28)11-5-19/h2-15H,16H2,1H3,(H,31,36)(H,32,37)/b29-14+,30-15+
Affinity DataIC50: 57nMAssay Description:Inhibition of AChE (unknown origin) by Ellman's methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516977(CHEMBL4518992)
Show SMILES Cc1nn(CC(=O)N\N=C\c2ccc(Br)cc2O)c(=O)n1-c1ccc(cc1)C(=O)N\N=C\c1ccc(Br)cc1O
Show InChI InChI=1S/C26H21Br2N7O5/c1-15-33-34(14-24(38)31-29-12-17-2-6-19(27)10-22(17)36)26(40)35(15)21-8-4-16(5-9-21)25(39)32-30-13-18-3-7-20(28)11-23(18)37/h2-13,36-37H,14H2,1H3,(H,31,38)(H,32,39)/b29-12+,30-13+
Affinity DataIC50: 58nMAssay Description:Inhibition of AChE (unknown origin) by Ellman's methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516975(CHEMBL4514263)
Show SMILES COc1ccc(\C=N\NC(=O)Cn2nc(C)n(-c3ccc(cc3)C(=O)N\N=C\c3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C28H27N7O5/c1-19-33-34(18-26(36)31-29-16-20-4-12-24(39-2)13-5-20)28(38)35(19)23-10-8-22(9-11-23)27(37)32-30-17-21-6-14-25(40-3)15-7-21/h4-17H,18H2,1-3H3,(H,31,36)(H,32,37)/b29-16+,30-17+
Affinity DataIC50: 62nMAssay Description:Inhibition of AChE (unknown origin) by Ellman's methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50524699(CHEMBL4557064)
Show SMILES CC(N1CCOCC1)c1cc(OC(=O)N(C)C)c2ncccc2c1
Show InChI InChI=1S/C18H23N3O3/c1-13(21-7-9-23-10-8-21)15-11-14-5-4-6-19-17(14)16(12-15)24-18(22)20(2)3/h4-6,11-13H,7-10H2,1-3H3
Affinity DataIC50: 70nMAssay Description:Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516963(CHEMBL2376519)
Show SMILES S=c1[nH]nc(-c2cccs2)n1-c1ccccc1
Show InChI InChI=1S/C12H9N3S2/c16-12-14-13-11(10-7-4-8-17-10)15(12)9-5-2-1-3-6-9/h1-8H,(H,14,16)
Affinity DataIC50: 82nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516982(CHEMBL4447626)
Show SMILES Cc1nn(CC(=O)N\N=C\c2ccc(Br)cc2)c(=O)n1-c1ccc(cc1)C(=O)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C26H21Br2N7O3/c1-17-33-34(16-24(36)31-29-14-18-2-8-21(27)9-3-18)26(38)35(17)23-12-6-20(7-13-23)25(37)32-30-15-19-4-10-22(28)11-5-19/h2-15H,16H2,1H3,(H,31,36)(H,32,37)/b29-14+,30-15+
Affinity DataIC50: 88nMAssay Description:Inhibition of AChE (unknown origin) by Ellman's methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516950(CHEMBL4544630)
Show SMILES Cc1nn(CC(=O)N\N=C\c2cccc(Br)c2)c(=O)n1-c1ccc(cc1)C(=O)N\N=C\c1cccc(Br)c1
Show InChI InChI=1S/C26H21Br2N7O3/c1-17-33-34(16-24(36)31-29-14-18-4-2-6-21(27)12-18)26(38)35(17)23-10-8-20(9-11-23)25(37)32-30-15-19-5-3-7-22(28)13-19/h2-15H,16H2,1H3,(H,31,36)(H,32,37)/b29-14+,30-15+
Affinity DataIC50: 97nMAssay Description:Inhibition of AChE (unknown origin) by Ellman's methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50177174(9-amino-5,6,7,8-tetrahydroacridin-4yl)methano | CH...)
Show SMILES Nc1c2CCCCc2nc2c(CO)cccc12
Show InChI InChI=1S/C14H16N2O/c15-13-10-5-1-2-7-12(10)16-14-9(8-17)4-3-6-11(13)14/h3-4,6,17H,1-2,5,7-8H2,(H2,15,16)
Affinity DataIC50: 125nMAssay Description:Inhibition of acetylcholinesteraseMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516970(CHEMBL4456791)
Show SMILES Cc1ccccc1Cn1cc(Cn2c3ccccc3c3ccccc23)nn1
Show InChI InChI=1S/C23H20N4/c1-17-8-2-3-9-18(17)14-26-15-19(24-25-26)16-27-22-12-6-4-10-20(22)21-11-5-7-13-23(21)27/h2-13,15H,14,16H2,1H3
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate after 10 secs measured at 30 s intervals for two minutes by Ellman's methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516985(CHEMBL4544034)
Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C43H43N3O5S/c1-31-22-24-36(25-23-31)41-44-45-43(52)46(41)38-40(49-28-34-18-10-4-11-19-34)39(48-27-33-16-8-3-9-17-33)37(30-47-26-32-14-6-2-7-15-32)51-42(38)50-29-35-20-12-5-13-21-35/h2-25,37-40,42H,26-30H2,1H3,(H,45,52)/t37-,38-,39-,40-,42-/m1/s1
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM10404((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
Affinity DataIC50: 2.66E+3nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516966(CHEMBL4452517)
Show SMILES Clc1ccc(cc1)-c1n[nH]c(=S)n1[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H40ClN3O5S/c43-35-23-21-34(22-24-35)40-44-45-42(52)46(40)37-39(49-27-32-17-9-3-10-18-32)38(48-26-31-15-7-2-8-16-31)36(29-47-25-30-13-5-1-6-14-30)51-41(37)50-28-33-19-11-4-12-20-33/h1-24,36-39,41H,25-29H2,(H,45,52)/t36-,37-,38-,39-,41-/m1/s1
Affinity DataIC50: 2.72E+3nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516965(CHEMBL4458943)
Show SMILES Fc1ccccc1-c1n[nH]c(=S)n1[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H40FN3O5S/c43-35-24-14-13-23-34(35)40-44-45-42(52)46(40)37-39(49-27-32-19-9-3-10-20-32)38(48-26-31-17-7-2-8-18-31)36(29-47-25-30-15-5-1-6-16-30)51-41(37)50-28-33-21-11-4-12-22-33/h1-24,36-39,41H,25-29H2,(H,45,52)/t36-,37-,38-,39-,41-/m1/s1
Affinity DataIC50: 3.06E+3nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516964(CHEMBL4573754)
Show SMILES S=c1[nH]nc(-c2cccs2)n1[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C40H39N3O5S2/c49-40-42-41-38(34-22-13-23-50-34)43(40)35-37(46-26-31-18-9-3-10-19-31)36(45-25-30-16-7-2-8-17-30)33(28-44-24-29-14-5-1-6-15-29)48-39(35)47-27-32-20-11-4-12-21-32/h1-23,33,35-37,39H,24-28H2,(H,42,49)/t33-,35-,36-,37-,39-/m1/s1
Affinity DataIC50: 6.37E+3nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50448370(CHEMBL3120178)
Show SMILES C[N+](C)(CCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C33H46N4O4/c1-36(2,23-10-11-25-40-30-19-26-41-34-30)21-8-6-5-7-9-22-37(3,4)24-14-20-35-32(38)28-17-12-15-27-16-13-18-29(31(27)28)33(35)39/h12-13,15-18H,5-9,14,19-26H2,1-4H3/q+2
Affinity DataIC50: 7.94E+3nMAssay Description:Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assayMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516989(CHEMBL4590975)
Show SMILES S=c1[nH]nc(-c2ccccc2)n1[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H41N3O5S/c51-42-44-43-40(35-24-14-5-15-25-35)45(42)37-39(48-28-33-20-10-3-11-21-33)38(47-27-32-18-8-2-9-19-32)36(30-46-26-31-16-6-1-7-17-31)50-41(37)49-29-34-22-12-4-13-23-34/h1-25,36-39,41H,26-30H2,(H,44,51)/t36-,37-,38-,39-,41-/m1/s1
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50448375(CHEMBL3121479)
Show SMILES C[N+](C)(CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C34H48N4O4/c1-37(2,24-11-12-26-41-31-20-27-42-35-31)22-9-7-5-6-8-10-23-38(3,4)25-15-21-36-33(39)29-18-13-16-28-17-14-19-30(32(28)29)34(36)40/h13-14,16-19H,5-10,15,20-27H2,1-4H3/q+2
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assayMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50448374(CHEMBL3121478)
Show SMILES C[N+](C)(CCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C32H44N4O4/c1-35(2,22-9-10-24-39-29-18-25-40-33-29)20-7-5-6-8-21-36(3,4)23-13-19-34-31(37)27-16-11-14-26-15-12-17-28(30(26)27)32(34)38/h11-12,14-17H,5-8,13,18-25H2,1-4H3/q+2
Affinity DataIC50: 1.02E+4nMAssay Description:Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assayMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516949(CHEMBL4555431)
Show SMILES Clc1ccccc1-c1n[nH]c(=S)n1[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C42H40ClN3O5S/c43-35-24-14-13-23-34(35)40-44-45-42(52)46(40)37-39(49-27-32-19-9-3-10-20-32)38(48-26-31-17-7-2-8-18-31)36(29-47-25-30-15-5-1-6-16-30)51-41(37)50-28-33-21-11-4-12-22-33/h1-24,36-39,41H,25-29H2,(H,45,52)/t36-,37-,38-,39-,41-/m1/s1
Affinity DataIC50: 1.23E+4nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50448369(CHEMBL3121476)
Show SMILES C[N+](C)(CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H46N4O4/c1-33(2,22-13-14-24-37-28-18-25-38-31-28)20-11-7-5-6-8-12-21-34(3,4)23-15-19-32-29(35)26-16-9-10-17-27(26)30(32)36/h9-10,16-17H,5-8,11-12,15,18-25H2,1-4H3/q+2
Affinity DataIC50: 1.95E+4nMAssay Description:Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assayMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50448371(CHEMBL3121480)
Show SMILES C[N+](C)(CCCCCC[N+]1(C)CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23)CC#CCOC1=NOCC1
Show InChI InChI=1S/C33H44N4O4/c1-36(2,20-8-9-24-40-30-18-25-41-34-30)19-6-4-5-7-21-37(3)22-16-27(17-23-37)35-32(38)28-14-10-12-26-13-11-15-29(31(26)28)33(35)39/h10-15,27H,4-7,16-25H2,1-3H3/q+2
Affinity DataIC50: 2.29E+4nMAssay Description:Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assayMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50448372(CHEMBL3121475)
Show SMILES C[N+](C)(CCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C29H44N4O4/c1-32(2,21-12-13-23-36-27-17-24-37-30-27)19-10-6-5-7-11-20-33(3,4)22-14-18-31-28(34)25-15-8-9-16-26(25)29(31)35/h8-9,15-16H,5-7,10-11,14,17-24H2,1-4H3/q+2
Affinity DataIC50: 3.16E+4nMAssay Description:Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assayMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit epsilon(Rattus norvegicus)
Zhejiang Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50448376(Naphmethonium)
Show SMILES CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C38H50N4O4/c1-38(2,26-40-36(45)31-20-13-16-28-17-14-21-32(33(28)31)37(40)46)27-42(5,6)24-12-8-7-11-23-41(3,4)25-15-22-39-34(43)29-18-9-10-19-30(29)35(39)44/h9-10,13-14,16-21H,7-8,11-12,15,22-27H2,1-6H3/q+2
Affinity DataIC50: 4.17E+4nMAssay Description:Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516968(CHEMBL4455222)
Show SMILES COc1ccc2C\C(=C/c3ccc(cc3)-c3cn(nn3)-c3ccnc4ccccc34)C(=O)c2c1
Show InChI InChI=1S/C28H20N4O2/c1-34-22-11-10-20-15-21(28(33)24(20)16-22)14-18-6-8-19(9-7-18)26-17-32(31-30-26)27-12-13-29-25-5-3-2-4-23(25)27/h2-14,16-17H,15H2,1H3/b21-14+
Affinity DataIC50: 1.04E+5nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate after 10 secs measured at 30 s intervals for two minutes by Ellman's methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516967(CHEMBL4461348)
Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(cc1)-c1cn(nn1)-c1ccnc2ccccc12
Show InChI InChI=1S/C28H20N4O2/c1-34-22-10-11-23-20(16-22)15-21(28(23)33)14-18-6-8-19(9-7-18)26-17-32(31-30-26)27-12-13-29-25-5-3-2-4-24(25)27/h2-14,16-17H,15H2,1H3/b21-14+
Affinity DataIC50: 1.14E+5nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate after 10 secs measured at 30 s intervals for two minutes by Ellman's methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit epsilon(Homo sapiens (Human))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50516962(CHEMBL4536136)
Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2CC1OC(=O)n1cc(CNC(=O)CCCCC2CCSS2)nn1
Show InChI InChI=1S/C26H30N4O6S2/c1-26(2)22(12-17-11-16-7-8-24(32)34-20(16)13-21(17)36-26)35-25(33)30-15-18(28-29-30)14-27-23(31)6-4-3-5-19-9-10-37-38-19/h7-8,11,13,15,19,22H,3-6,9-10,12,14H2,1-2H3,(H,27,31)
Affinity DataIC50: 3.50E+8nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid