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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50003074   
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
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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 104n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466608
PNG
(CHEMBL4285772)
Show SMILES [I-].CC[N+](CC)(CC)CCCCCCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C28H42NO/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3/q+1/b19-18+
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 164n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466614
PNG
(CHEMBL4291079)
Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3/q+1/b15-14+
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 186n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466613
PNG
(CHEMBL4287656)
Show SMILES [I-].CC[N+](CC)(CC)CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C24H34NO3/c1-6-25(7-2,8-3)15-16-28-22-13-11-20(12-14-22)9-10-21-17-23(26-4)19-24(18-21)27-5/h9-14,17-19H,6-8,15-16H2,1-5H3/q+1/b10-9+
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 189n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466606
PNG
(CHEMBL4280452)
Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C26H38NO3/c1-6-27(7-2,8-3)17-9-10-18-30-24-15-13-22(14-16-24)11-12-23-19-25(28-4)21-26(20-23)29-5/h11-16,19-21H,6-10,17-18H2,1-5H3/q+1/b12-11+
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 305n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466607
PNG
(CHEMBL4293646)
Show SMILES [I-].CC[N+](CC)(CC)CCCCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C26H38NO/c1-4-27(5-2,6-3)22-12-7-8-13-23-28-26-20-18-25(19-21-26)17-16-24-14-10-9-11-15-24/h9-11,14-21H,4-8,12-13,22-23H2,1-3H3/q+1/b17-16+
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 465n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466603
PNG
(CHEMBL4277852)
Show SMILES [I-].C(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C38H38OP/c1(15-31-39-35-29-27-34(28-30-35)26-25-33-17-7-3-8-18-33)2-16-32-40(36-19-9-4-10-20-36,37-21-11-5-12-22-37)38-23-13-6-14-24-38/h3-14,17-30H,1-2,15-16,31-32H2/q+1/b26-25+
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 559n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466615
PNG
(CHEMBL4291927)
Show SMILES [I-].C(CCCOc1ccc(\C=C\c2ccccc2)cc1)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H40OP/c1(2-16-32-40-36-30-28-35(29-31-36)27-26-34-18-8-4-9-19-34)3-17-33-41(37-20-10-5-11-21-37,38-22-12-6-13-23-38)39-24-14-7-15-25-39/h4-15,18-31H,1-3,16-17,32-33H2/q+1/b27-26+
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 617n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466611
PNG
(CHEMBL4281312)
Show SMILES [I-].C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C40H42OP/c1(3-17-33-41-37-31-29-36(30-32-37)28-27-35-19-9-5-10-20-35)2-4-18-34-42(38-21-11-6-12-22-38,39-23-13-7-14-24-39)40-25-15-8-16-26-40/h5-16,19-32H,1-4,17-18,33-34H2/q+1/b28-27+
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 909n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466616
PNG
(CHEMBL4288118)
Show SMILES [I-].C(COc1ccc(\C=C\c2ccccc2)cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H32OP/c1-5-14-30(15-6-1)22-23-31-24-26-32(27-25-31)36-28-13-29-37(33-16-7-2-8-17-33,34-18-9-3-10-19-34)35-20-11-4-12-21-35/h1-12,14-27H,13,28-29H2/q+1/b23-22+
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 984n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466612
PNG
(CHEMBL4290427)
Show SMILES [I-].C(CCCCOc1ccc(\C=C\c2ccccc2)cc1)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C41H44OP/c1(2-4-18-34-42-38-32-30-37(31-33-38)29-28-36-20-10-6-11-21-36)3-5-19-35-43(39-22-12-7-13-23-39,40-24-14-8-15-25-40)41-26-16-9-17-27-41/h6-17,20-33H,1-5,18-19,34-35H2/q+1/b29-28+
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 1.29E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466609
PNG
(CHEMBL4284717)
Show SMILES [I-].C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C36H34OP/c1-5-15-31(16-6-1)23-24-32-25-27-33(28-26-32)37-29-13-14-30-38(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-12,15-28H,13-14,29-30H2/q+1/b24-23+
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 1.64E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466605
PNG
(CHEMBL4276776)
Show SMILES [I-].COc1cc(OC)cc(\C=C\c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1
Show InChI InChI=1S/C38H38O3P/c1-39-34-28-32(29-35(30-34)40-2)21-20-31-22-24-33(25-23-31)41-26-12-13-27-42(36-14-6-3-7-15-36,37-16-8-4-9-17-37)38-18-10-5-11-19-38/h3-11,14-25,28-30H,12-13,26-27H2,1-2H3/q+1/b21-20+
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 1.83E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466604
PNG
(CHEMBL4280206)
Show SMILES [I-].C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C42H46OP/c1(3-5-19-35-43-39-33-31-38(32-34-39)30-29-37-21-11-7-12-22-37)2-4-6-20-36-44(40-23-13-8-14-24-40,41-25-15-9-16-26-41)42-27-17-10-18-28-42/h7-18,21-34H,1-6,19-20,35-36H2/q+1/b30-29+
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 1.93E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466610
PNG
(CHEMBL4288506)
Show SMILES [I-].C(CCOc1ccc(\C=C\c2ccccc2)cc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H36OP/c1-6-16-32(17-7-1)24-25-33-26-28-34(29-27-33)38-30-14-5-15-31-39(35-18-8-2-9-19-35,36-20-10-3-11-21-36)37-22-12-4-13-23-37/h1-4,6-13,16-29H,5,14-15,30-31H2/q+1/b25-24+
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 2.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50466614
PNG
(CHEMBL4291079)
Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3/q+1/b15-14+
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>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50466609
PNG
(CHEMBL4284717)
Show SMILES [I-].C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C36H34OP/c1-5-15-31(16-6-1)23-24-32-25-27-33(28-26-32)37-29-13-14-30-38(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-12,15-28H,13-14,29-30H2/q+1/b24-23+
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>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50466607
PNG
(CHEMBL4293646)
Show SMILES [I-].CC[N+](CC)(CC)CCCCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C26H38NO/c1-4-27(5-2,6-3)22-12-7-8-13-23-28-26-20-18-25(19-21-26)17-16-24-14-10-9-11-15-24/h9-11,14-21H,4-8,12-13,22-23H2,1-3H3/q+1/b17-16+
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>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50466608
PNG
(CHEMBL4285772)
Show SMILES [I-].CC[N+](CC)(CC)CCCCCCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C28H42NO/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3/q+1/b19-18+
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>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50466604
PNG
(CHEMBL4280206)
Show SMILES [I-].C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C42H46OP/c1(3-5-19-35-43-39-33-31-38(32-34-39)30-29-37-21-11-7-12-22-37)2-4-6-20-36-44(40-23-13-8-14-24-40,41-25-15-9-16-26-41)42-27-17-10-18-28-42/h7-18,21-34H,1-6,19-20,35-36H2/q+1/b30-29+
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>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10


(Homo sapiens (Human))		BDBM50466607
PNG
(CHEMBL4293646)
Show SMILES [I-].CC[N+](CC)(CC)CCCCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C26H38NO/c1-4-27(5-2,6-3)22-12-7-8-13-23-28-26-20-18-25(19-21-26)17-16-24-14-10-9-11-15-24/h9-11,14-21H,4-8,12-13,22-23H2,1-3H3/q+1/b17-16+
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n/an/a 4.80n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mi...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10


(Homo sapiens (Human))		BDBM50466614
PNG
(CHEMBL4291079)
Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3/q+1/b15-14+
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n/an/a 5n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mi...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466614
PNG
(CHEMBL4291079)
Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3/q+1/b15-14+
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n/an/a 6.5n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10


(Homo sapiens (Human))		BDBM50466608
PNG
(CHEMBL4285772)
Show SMILES [I-].CC[N+](CC)(CC)CCCCCCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C28H42NO/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3/q+1/b19-18+
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n/an/a 6.60n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mi...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10


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



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mi...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10


(Homo sapiens (Human))		BDBM50466606
PNG
(CHEMBL4280452)
Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C26H38NO3/c1-6-27(7-2,8-3)17-9-10-18-30-24-15-13-22(14-16-24)11-12-23-19-25(28-4)21-26(20-23)29-5/h11-16,19-21H,6-10,17-18H2,1-5H3/q+1/b12-11+
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mi...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466607
PNG
(CHEMBL4293646)
Show SMILES [I-].CC[N+](CC)(CC)CCCCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C26H38NO/c1-4-27(5-2,6-3)22-12-7-8-13-23-28-26-20-18-25(19-21-26)17-16-24-14-10-9-11-15-24/h9-11,14-21H,4-8,12-13,22-23H2,1-3H3/q+1/b17-16+
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10


(Homo sapiens (Human))		BDBM50466613
PNG
(CHEMBL4287656)
Show SMILES [I-].CC[N+](CC)(CC)CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C24H34NO3/c1-6-25(7-2,8-3)15-16-28-22-13-11-20(12-14-22)9-10-21-17-23(26-4)19-24(18-21)27-5/h9-14,17-19H,6-8,15-16H2,1-5H3/q+1/b10-9+
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mi...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466606
PNG
(CHEMBL4280452)
Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C26H38NO3/c1-6-27(7-2,8-3)17-9-10-18-30-24-15-13-22(14-16-24)11-12-23-19-25(28-4)21-26(20-23)29-5/h11-16,19-21H,6-10,17-18H2,1-5H3/q+1/b12-11+
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n/an/a 24n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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n/an/a 41n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466613
PNG
(CHEMBL4287656)
Show SMILES [I-].CC[N+](CC)(CC)CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C24H34NO3/c1-6-25(7-2,8-3)15-16-28-22-13-11-20(12-14-22)9-10-21-17-23(26-4)19-24(18-21)27-5/h9-14,17-19H,6-8,15-16H2,1-5H3/q+1/b10-9+
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n/an/a 47n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466608
PNG
(CHEMBL4285772)
Show SMILES [I-].CC[N+](CC)(CC)CCCCCCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C28H42NO/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3/q+1/b19-18+
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n/an/a 92n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10


(Homo sapiens (Human))		BDBM50466605
PNG
(CHEMBL4276776)
Show SMILES [I-].COc1cc(OC)cc(\C=C\c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1
Show InChI InChI=1S/C38H38O3P/c1-39-34-28-32(29-35(30-34)40-2)21-20-31-22-24-33(25-23-31)41-26-12-13-27-42(36-14-6-3-7-15-36,37-16-8-4-9-17-37)38-18-10-5-11-19-38/h3-11,14-25,28-30H,12-13,26-27H2,1-2H3/q+1/b21-20+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mi...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50466605
PNG
(CHEMBL4276776)
Show SMILES [I-].COc1cc(OC)cc(\C=C\c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1
Show InChI InChI=1S/C38H38O3P/c1-39-34-28-32(29-35(30-34)40-2)21-20-31-22-24-33(25-23-31)41-26-12-13-27-42(36-14-6-3-7-15-36,37-16-8-4-9-17-37)38-18-10-5-11-19-38/h3-11,14-25,28-30H,12-13,26-27H2,1-2H3/q+1/b21-20+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -...

J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair