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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50033925   
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)		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)		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)		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)		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)		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)		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
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		3D
3D Structure (crystal)
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
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
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)		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
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)		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)		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
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)		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
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)		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
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)
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)		BDBM50419179
PNG
(CHEMBL1831035)
Show SMILES C1NC2c3ccccc3CC1c1ccccc21 |TLB:15:16:9.8.3:1.0,4:3:16.11:1.0,THB:12:11:9.8.3:1.0|
Show InChI InChI=1S/C16H15N/c1-2-7-14-11(5-1)9-12-10-17-16(14)15-8-4-3-6-13(12)15/h1-8,12,16-17H,9-10H2
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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)		BDBM50419183
PNG
(CHEMBL1831045)
Show SMILES CC(C)(C)C(N)\C=C\c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H17Cl2N/c1-13(2,3)12(16)7-5-9-4-6-10(14)8-11(9)15/h4-8,12H,16H2,1-3H3/b7-5+
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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)		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
Acetylcholine-binding protein


(Lymnaea stagnalis)		BDBM50353945
PNG
(CHEMBL1831033)
Show SMILES CC1NCCOC1c1ccc(Cl)cc1
Show InChI InChI=1S/C11H14ClNO/c1-8-11(14-7-6-13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
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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
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		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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 1.58E+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
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		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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 1.58E+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
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		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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 2.00E+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
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		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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 2.00E+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
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		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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 2.00E+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)		BDBM50419196
PNG
(CHEMBL1831040)
Show SMILES NCc1ccsc1C(O)c1ccccc1
Show InChI InChI=1S/C12H13NOS/c13-8-10-6-7-15-12(10)11(14)9-4-2-1-3-5-9/h1-7,11,14H,8,13H2
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 2.51E+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))		BDBM50353948
PNG
(CHEMBL1831043)
Show SMILES NCC(c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C20H18ClNS/c21-17-10-6-15(7-11-17)20(14-22)16-8-12-19(13-9-16)23-18-4-2-1-3-5-18/h1-13,20H,14,22H2
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n/an/an/an/a 1.00E+4n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology assa...

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))		BDBM50353949
PNG
(CHEMBL1831038)
Show SMILES CN(C)C(c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C17H21N/c1-13-5-9-15(10-6-13)17(18(3)4)16-11-7-14(2)8-12-16/h5-12,17H,1-4H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology assa...

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))		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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PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology assa...

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))		BDBM50353945
PNG
(CHEMBL1831033)
Show SMILES CC1NCCOC1c1ccc(Cl)cc1
Show InChI InChI=1S/C11H14ClNO/c1-8-11(14-7-6-13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology assa...

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))		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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n/an/an/an/a 1.00E+4n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology assa...

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-4/beta-2


(Homo sapiens (Human))		BDBM50419179
PNG
(CHEMBL1831035)
Show SMILES C1NC2c3ccccc3CC1c1ccccc21 |TLB:15:16:9.8.3:1.0,4:3:16.11:1.0,THB:12:11:9.8.3:1.0|
Show InChI InChI=1S/C16H15N/c1-2-7-14-11(5-1)9-12-10-17-16(14)15-8-4-3-6-13(12)15/h1-8,12,16-17H,9-10H2
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n/an/an/an/a 1.00E+4n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology...

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-4/beta-2


(Homo sapiens (Human))		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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n/an/an/an/a 1.00E+4n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology...

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-4/beta-2


(Homo sapiens (Human))		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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n/an/an/an/a 1.00E+4n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology...

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-4/beta-2


(Homo sapiens (Human))		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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PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology...

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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