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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'sixma' and Initial = 'tk'   
Target/Host
(Institution)
LigandTarget/Host
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
Acetylcholine Binding protein


(Lymnaea stagnalis)
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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63.1n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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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63.1n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413516
PNG
(CHEMBL522249)
Show SMILES CN1C2CCC1CC(C2)OC(=O)COC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H29NO3/c1-26-19-12-13-20(26)15-21(14-19)29-24(27)16-28-25-22-8-4-2-6-17(22)10-11-18-7-3-5-9-23(18)25/h2-9,19-21,25H,10-16H2,1H3
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100n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
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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100n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413513
PNG
(CHEMBL452172)
Show SMILES CCN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H29NO/c1-2-25-19-13-14-20(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,2,11-16H2,1H3
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126n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413514
PNG
(CHEMBL522981)
Show SMILES CN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccc(C)cc12
Show InChI InChI=1S/C24H29NO/c1-16-7-8-18-10-9-17-5-3-4-6-22(17)24(23(18)13-16)26-21-14-19-11-12-20(15-21)25(19)2/h3-8,13,19-21,24H,9-12,14-15H2,1-2H3
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126n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419188
PNG
(CHEMBL1616460)
Show SMILES C(N1CCCC1)c1ccccc1Sc1ccccc1
Show InChI InChI=1S/C17H19NS/c1-2-9-16(10-3-1)19-17-11-5-4-8-15(17)14-18-12-6-7-13-18/h1-5,8-11H,6-7,12-14H2
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200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413519
PNG
(CHEMBL491860)
Show SMILES CN1C2CCC1CC(C2)OC1c2ccccc2CCc2c(C)cccc12
Show InChI InChI=1S/C24H29NO/c1-16-6-5-9-23-21(16)13-10-17-7-3-4-8-22(17)24(23)26-20-14-18-11-12-19(15-20)25(18)2/h3-9,18-20,24H,10-15H2,1-2H3
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316n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413509
PNG
(CHEMBL523130)
Show SMILES C1CC2CC(CC1N2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-7-20-15(5-1)9-10-16-6-2-4-8-21(16)22(20)24-19-13-17-11-12-18(14-19)23-17/h1-8,17-19,22-23H,9-14H2
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316n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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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316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419176
PNG
(CHEMBL1831027)
Show SMILES Cc1ccccc1C(OCCN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-18-10-6-7-13-20(18)21(19-11-4-2-5-12-19)23-17-16-22-14-8-3-9-15-22/h2,4-7,10-13,21H,3,8-9,14-17H2,1H3
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316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419198
PNG
(CHEMBL1828843)
Show SMILES CC1(C)CC(=CC(C)(C)N1)c1cc(Br)c(s1)C1=CC(C)(C)NC(C)(C)C1 |c:4,t:18|
Show InChI InChI=1S/C22H33BrN2S/c1-19(2)10-14(11-20(3,4)24-19)17-9-16(23)18(26-17)15-12-21(5,6)25-22(7,8)13-15/h9-10,12,24-25H,11,13H2,1-8H3
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398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419186
PNG
(CHEMBL1545942)
Show SMILES OCCc1c([nH]c2ccccc12)C1CC2CCN1CC2C=C |THB:20:19:12.13:16.15,4:12:19.18:16.15|
Show InChI InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2
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398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413520
PNG
(CHEMBL503237)
Show SMILES CN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3
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398n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419190
PNG
(CHEMBL1828844)
Show SMILES O=C1COc2ccccc2N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2O2/c24-21-16-25-20-10-4-3-9-19(20)23(21)13-6-5-12-22-14-11-17-7-1-2-8-18(17)15-22/h1-4,7-10H,5-6,11-16H2
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501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419180
PNG
(CHEMBL1831037)
Show SMILES Cc1ccc(cc1)C(OCC1CCC[N+](C)(C)C1)c1ccccc1
Show InChI InChI=1S/C22H30NO/c1-18-11-13-21(14-12-18)22(20-9-5-4-6-10-20)24-17-19-8-7-15-23(2,3)16-19/h4-6,9-14,19,22H,7-8,15-17H2,1-3H3/q+1
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501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413512
PNG
(CHEMBL490643)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#8]-[#6]-1-c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C25H32N4O/c26-25(27)28-13-14-29-19-11-12-20(29)16-21(15-19)30-24-22-7-3-1-5-17(22)9-10-18-6-2-4-8-23(18)24/h1-8,19-21,24H,9-16H2,(H4,26,27,28)
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501n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413515
PNG
(CHEMBL489034)
Show SMILES CCCN1CCC(CC1)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C23H29NO/c1-2-15-24-16-13-20(14-17-24)25-23-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)23/h3-10,20,23H,2,11-17H2,1H3
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631n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419178
PNG
(CHEMBL1831029)
Show SMILES CC1CC[N+]2(C)CCc3c([nH]c4ccccc34)C2C1
Show InChI InChI=1S/C17H23N2/c1-12-7-9-19(2)10-8-14-13-5-3-4-6-15(13)18-17(14)16(19)11-12/h3-6,12,16,18H,7-11H2,1-2H3/q+1
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419192
PNG
(CHEMBL1828846)
Show SMILES CC1CC2(CCCCC2)NCc2ccccc12
Show InChI InChI=1S/C16H23N/c1-13-11-16(9-5-2-6-10-16)17-12-14-7-3-4-8-15(13)14/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419175
PNG
(CHEMBL1831034)
Show SMILES CN1CC2Cc3ccccc3C1c1ccccc21 |TLB:0:1:12.17:4.5.10,13:12:4.5.10:1.2,9:10:12.17:1.2,THB:16:17:4.5.10:1.2|
Show InChI InChI=1S/C17H17N/c1-18-11-13-10-12-6-2-3-8-15(12)17(18)16-9-5-4-7-14(13)16/h2-9,13,17H,10-11H2,1H3
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM74511
PNG
(1-(1-benzothien-3-ylmethyl)piperidine | 1-(1-benzo...)
Show SMILES C(N1CCCCC1)c1csc2ccccc12
Show InChI InChI=1S/C14H17NS/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14/h2-3,6-7,11H,1,4-5,8-10H2
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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50353946
PNG
(CHEMBL1831032)
Show SMILES C(Cc1cc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2
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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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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1.00E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419185
PNG
(CHEMBL1831048)
Show SMILES C[N+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1
Show InChI InChI=1S/C13H15ClNOS/c1-15(4-5-16)7-11-10-6-9(14)2-3-12(10)17-13(11)8-15/h2-3,6,16H,4-5,7-8H2,1H3/q+1
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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413517
PNG
(CHEMBL490849)
Show SMILES N#CCCN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H28N2O/c26-14-5-15-27-20-12-13-21(27)17-22(16-20)28-25-23-8-3-1-6-18(23)10-11-19-7-2-4-9-24(19)25/h1-4,6-9,20-22,25H,5,10-13,15-17H2
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1.00E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419177
PNG
(CHEMBL1831028)
Show SMILES C1CC2N(C1)CCc1c2[nH]c2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-5-12-10(4-1)11-7-9-16-8-3-6-13(16)14(11)15-12/h1-2,4-5,13,15H,3,6-9H2
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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413518
PNG
(CHEMBL490442)
Show SMILES ONC(=N)CCN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H31N3O2/c26-24(27-29)13-14-28-19-11-12-20(28)16-21(15-19)30-25-22-7-3-1-5-17(22)9-10-18-6-2-4-8-23(18)25/h1-8,19-21,25,29H,9-16H2,(H2,26,27)
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1.26E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419191
PNG
(CHEMBL1828845)
Show SMILES CSc1[nH]c2ccccc2c1CN1CCCCC1
Show InChI InChI=1S/C15H20N2S/c1-18-15-13(11-17-9-5-2-6-10-17)12-7-3-4-8-14(12)16-15/h3-4,7-8,16H,2,5-6,9-11H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413510
PNG
(HEPZIDINE)
Show SMILES CN1CCC(CC1)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-22-14-12-18(13-15-22)23-21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,18,21H,10-15H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419187
PNG
(CHEMBL1624521)
Show SMILES CN1CCN(Cc2ccccc2Sc2ccccc2)CC1
Show InChI InChI=1S/C18H22N2S/c1-19-11-13-20(14-12-19)15-16-7-5-6-10-18(16)21-17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419200
PNG
(CHEMBL1740345)
Show SMILES ClC1(CNc2ccccc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2/c20-19(16-21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-16H2
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1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419189
PNG
(CHEMBL1619901)
Show SMILES OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C19H22ClNO2/c20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21/h1-8,19,22H,9-14H2
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1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(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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2.00E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419197
PNG
(CHEMBL1831047)
Show SMILES C(CSc1cc2ccccc2[nH]1)CN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27N3S/c1-2-7-19(8-3-1)18-25-14-12-24(13-15-25)11-6-16-26-22-17-20-9-4-5-10-21(20)23-22/h1-5,7-10,17,23H,6,11-16,18H2
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2.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50353944
PNG
(CHEMBL1831036)
Show SMILES C(Cc1nc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H23N3/c1-2-6-16(7-3-1)17-10-13-23(14-11-17)15-12-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
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2.51E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419194
PNG
(CHEMBL1828849)
Show SMILES CC(Cc1ccccc1)NC1CN2CCC1CC2 |THB:9:10:13.14:17.16,(49.97,-42.94,;49.74,-44.46,;50.94,-45.42,;52.38,-44.86,;53.58,-45.82,;55.01,-45.26,;55.24,-43.73,;54.03,-42.77,;52.6,-43.34,;48.31,-45.02,;47.1,-44.06,;47.4,-42.55,;45.92,-43.23,;44.25,-42.53,;44.04,-44.03,;45.64,-44.72,;45.71,-46.5,;46.19,-45.3,)|
Show InChI InChI=1S/C16H24N2/c1-13(11-14-5-3-2-4-6-14)17-16-12-18-9-7-15(16)8-10-18/h2-6,13,15-17H,7-12H2,1H3
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3.16E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413511
PNG
(CHEMBL489015)
Show SMILES C1CC(CCN1)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23NO/c1-3-7-18-15(5-1)9-10-16-6-2-4-8-19(16)20(18)22-17-11-13-21-14-12-17/h1-8,17,20-21H,9-14H2
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3.16E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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3.16E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419195
PNG
(CHEMBL1828847)
Show SMILES CCN(CC)Cc1csc2ccc(Cl)cc12
Show InChI InChI=1S/C13H16ClNS/c1-3-15(4-2)8-10-9-16-13-6-5-11(14)7-12(10)13/h5-7,9H,3-4,8H2,1-2H3
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3.98E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50419191
PNG
(CHEMBL1828845)
Show SMILES CSc1[nH]c2ccccc2c1CN1CCCCC1
Show InChI InChI=1S/C15H20N2S/c1-18-15-13(11-17-9-5-2-6-10-17)12-7-3-4-8-14(12)16-15/h3-4,7-8,16H,2,5-6,9-11H2,1H3
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3.98E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419181
PNG
(CHEMBL1831042)
Show SMILES NCC(OCc1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C15H15Cl2NO/c16-13-7-6-12(14(17)8-13)10-19-15(9-18)11-4-2-1-3-5-11/h1-8,15H,9-10,18H2
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5.01E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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6.31E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419182
PNG
(CHEMBL1831044)
Show SMILES NCC(OCc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2
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6.31E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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7.94E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50353947
PNG
(CHEMBL1831030)
Show SMILES CC1CCN(CCc2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C16H22N2/c1-13-6-9-18(10-7-13)11-8-15-12-14-4-2-3-5-16(14)17-15/h2-5,12-13,17H,6-11H2,1H3
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1.00E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50419180
PNG
(CHEMBL1831037)
Show SMILES Cc1ccc(cc1)C(OCC1CCC[N+](C)(C)C1)c1ccccc1
Show InChI InChI=1S/C22H30NO/c1-18-11-13-21(14-12-18)22(20-9-5-4-6-10-20)24-17-19-8-7-15-23(2,3)16-19/h4-6,9-14,19,22H,7-8,15-17H2,1-3H3/q+1
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1.00E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419184
PNG
(CHEMBL1831046)
Show SMILES NCC(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H19N/c21-15-20(18-9-5-2-6-10-18)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,20H,15,21H2
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1.26E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419199
PNG
(CHEMBL1828848)
Show SMILES CN1CCC(CC1)c1noc2ccccc12
Show InChI InChI=1S/C13H16N2O/c1-15-8-6-10(7-9-15)13-11-4-2-3-5-12(11)16-14-13/h2-5,10H,6-9H2,1H3
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1.26E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
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