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PubMed code 26994846

Compile data set for download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
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))		BDBM50160616
PNG
(CHEMBL3786240)
Show SMILES Brc1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,2.78,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18BrN3O/c17-15-3-1-2-13-8-12(9-20(13)15)16(21)18-14-10-19-6-4-11(14)5-7-19/h1-3,8-9,11,14H,4-7,10H2,(H,18,21)/t14-/m0/s1
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 15n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160616
PNG
(CHEMBL3786240)
Show SMILES Brc1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,2.78,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18BrN3O/c17-15-3-1-2-13-8-12(9-20(13)15)16(21)18-14-10-19-6-4-11(14)5-7-19/h1-3,8-9,11,14H,4-7,10H2,(H,18,21)/t14-/m0/s1
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 94n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes in presence of alpha7 nAChR positive allosteric modulator PNU-120596

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160619
PNG
(CHEMBL3787585)
Show SMILES Cl.CCOC(=O)c1cc(C(=O)c2ccccc2)n2cccc(C(=O)N[C@H]3CN4CCC3CC4)c12 |r,wU:25.24,(9.33,-1.91,;5.44,-4.72,;4.24,-4.47,;3.75,-3.01,;2.24,-2.7,;1.42,-3.62,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.23,4.48,;5.74,4.79,;6.76,3.64,;6.28,2.18,;4.77,1.86,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;-1.02,-3.09,;.05,-3.71,;-2.35,-3.87,;-2.35,-5.41,;-.93,-6.18,;-.91,-7.79,;-2.31,-8.62,;-3.73,-7.82,;-3.76,-6.21,;-2.47,-6.29,;-2.43,-7.55,;.3,-.77,)|
Show InChI InChI=1S/C26H27N3O4.ClH/c1-2-33-26(32)20-15-22(24(30)18-7-4-3-5-8-18)29-12-6-9-19(23(20)29)25(31)27-21-16-28-13-10-17(21)11-14-28;/h3-9,12,15,17,21H,2,10-11,13-14,16H2,1H3,(H,27,31);1H/t21-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160691
PNG
(CHEMBL3786273)
Show SMILES Cl.CCOC(=O)c1cc(C(=O)c2cccc(F)c2)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:27.28,(9.33,.01,;5.44,-4.72,;4.24,-4.47,;3.75,-3.01,;2.24,-2.7,;1.42,-3.62,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.77,1.86,;6.28,2.18,;6.76,3.64,;5.74,4.79,;6.12,5.96,;4.23,4.48,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.72,-1.53,;-4.78,-.91,;-3.72,-3.07,;-5.06,-3.84,;-6.44,-2.99,;-7.84,-3.78,;-7.86,-5.4,;-6.46,-6.24,;-5.04,-5.46,;-5.76,-4.38,;-6.87,-4.97,)|
Show InChI InChI=1S/C25H34Cl2N8O2/c1-33-21(15-20(32-33)17-5-4-6-18(26)22(17)27)16-8-13-35(14-9-16)25(37)30-10-7-19(31-24(28)29)23(36)34-11-2-3-12-34/h4-6,15-16,19H,2-3,7-14H2,1H3,(H,30,37)(H4,28,29,31)/t19-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161201
PNG
(CHEMBL3786820)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccccn2c1 |r,wD:3.2,(4.82,-1.02,;4.19,.04,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,;2.65,.02,;1.76,-1.23,;.3,-.77,;-1.03,-1.55,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,)|
Show InChI InChI=1S/C16H19N3O/c20-16(13-9-14-3-1-2-6-19(14)10-13)17-15-11-18-7-4-12(15)5-8-18/h1-3,6,9-10,12,15H,4-5,7-8,11H2,(H,17,20)/t15-/m0/s1
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n/an/an/an/a 8.38E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161200
PNG
(CHEMBL3786561)
Show SMILES Clc1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,2.78,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18ClN3O/c17-15-3-1-2-13-8-12(9-20(13)15)16(21)18-14-10-19-6-4-11(14)5-7-19/h1-3,8-9,11,14H,4-7,10H2,(H,18,21)/t14-/m0/s1
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n/an/an/an/a 2.49E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161196
PNG
(CHEMBL3786366)
Show SMILES Cc1nc2ccc(F)cn2c1C(=O)N[C@H]1CN2CCC1CC2 |r,wD:14.15,(3.88,.03,;2.65,.02,;1.76,1.23,;.3,.77,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-3.44,-1.38,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.24,-2.69,;1.42,-3.61,;3.75,-3,;4.23,-4.46,;3.13,-5.64,;3.63,-7.17,;5.21,-7.51,;6.3,-6.31,;5.82,-4.77,;4.63,-5.26,;4.99,-6.46,)|
Show InChI InChI=1S/C16H19FN4O/c1-10-15(21-8-12(17)2-3-14(21)18-10)16(22)19-13-9-20-6-4-11(13)5-7-20/h2-3,8,11,13H,4-7,9H2,1H3,(H,19,22)/t13-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161179
PNG
(CHEMBL3786124)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3)n2c1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.02,3.09,;.31,3.87,;.3,5.41,;-1.04,6.17,;-2.37,5.4,;-2.36,3.86,;.3,.77,;1.76,1.24,)|
Show InChI InChI=1S/C22H23N3O/c26-22(23-20-15-24-11-9-16(20)10-12-24)18-13-19-7-4-8-21(25(19)14-18)17-5-2-1-3-6-17/h1-8,13-14,16,20H,9-12,15H2,(H,23,26)/t20-/m0/s1
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n/an/an/an/a 3.98E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161177
PNG
(CHEMBL3786427)
Show SMILES Brc1cccn2cc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,-2.78,;-1.03,-1.55,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.65,.02,;1.76,-1.23,;.3,-.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18BrN3O/c17-13-2-1-5-20-9-12(8-15(13)20)16(21)18-14-10-19-6-3-11(14)4-7-19/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,18,21)/t14-/m0/s1
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n/an/an/an/a 4.75E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161254
PNG
(CHEMBL3786699)
Show SMILES Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccccc2)n2ccccc12 |r,wD:4.2,(9.33,-1.37,;1.42,-3.62,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;3.14,-5.65,;3.64,-7.18,;5.22,-7.52,;6.32,-6.32,;5.83,-4.77,;4.63,-5.27,;5,-6.47,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.23,4.48,;5.74,4.79,;6.76,3.64,;6.28,2.18,;4.77,1.86,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1S/C23H23N3O2.ClH/c27-22(17-6-2-1-3-7-17)21-14-18(20-8-4-5-11-26(20)21)23(28)24-19-15-25-12-9-16(19)10-13-25;/h1-8,11,14,16,19H,9-10,12-13,15H2,(H,24,28);1H/t19-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161248
PNG
(CHEMBL3786604)
Show SMILES Cl.CCOC(=O)c1cc(C(=O)c2ccccc2O)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:27.28,(9.33,-.31,;5.44,-4.72,;4.24,-4.47,;3.75,-3.01,;2.24,-2.7,;1.42,-3.62,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.77,1.86,;6.28,2.18,;6.76,3.64,;5.74,4.79,;4.23,4.48,;3.41,5.4,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.72,-1.53,;-4.78,-.91,;-3.72,-3.07,;-5.06,-3.84,;-6.44,-2.99,;-7.84,-3.78,;-7.86,-5.4,;-6.46,-6.24,;-5.04,-5.46,;-5.76,-4.38,;-6.87,-4.97,)|
Show InChI InChI=1S/C26H27N3O5.ClH/c1-2-34-26(33)19-14-22(24(31)18-5-3-4-6-23(18)30)29-12-9-17(13-21(19)29)25(32)27-20-15-28-10-7-16(20)8-11-28;/h3-6,9,12-14,16,20,30H,2,7-8,10-11,15H2,1H3,(H,27,32);1H/t20-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161211
PNG
(CHEMBL3786664)
Show SMILES Clc1cccn2cc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,-2.78,;-1.03,-1.55,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.65,.02,;1.76,-1.23,;.3,-.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18ClN3O/c17-13-2-1-5-20-9-12(8-15(13)20)16(21)18-14-10-19-6-3-11(14)4-7-19/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,18,21)/t14-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160616
PNG
(CHEMBL3786240)
Show SMILES Brc1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,2.78,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18BrN3O/c17-15-3-1-2-13-8-12(9-20(13)15)16(21)18-14-10-19-6-4-11(14)5-7-19/h1-3,8-9,11,14H,4-7,10H2,(H,18,21)/t14-/m0/s1
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n/an/an/an/a 1.78E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161204
PNG
(CHEMBL3787101)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(cc3)-c3ccccc3)n2c1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.02,3.09,;.31,3.87,;.3,5.41,;-1.04,6.17,;-2.37,5.4,;-2.36,3.86,;-1.04,7.71,;.29,8.49,;.28,10.03,;-1.06,10.79,;-2.39,10.02,;-2.38,8.48,;.3,.77,;1.76,1.24,)|
Show InChI InChI=1S/C28H27N3O/c32-28(29-26-19-30-15-13-22(26)14-16-30)24-17-25-7-4-8-27(31(25)18-24)23-11-9-21(10-12-23)20-5-2-1-3-6-20/h1-12,17-18,22,26H,13-16,19H2,(H,29,32)/t26-/m0/s1
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n/an/an/an/a 1.41E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160600
PNG
(CHEMBL3786458)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc2cc(cn2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.24,(-7.72,5.07,;-7.72,3.84,;-8.79,3.22,;-8.79,4.45,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|
Show InChI InChI=1S/C26H31N3O/c1-26(2,3)22-7-4-18(5-8-22)20-6-9-23-14-21(16-29(23)15-20)25(30)27-24-17-28-12-10-19(24)11-13-28/h4-9,14-16,19,24H,10-13,17H2,1-3H3,(H,27,30)/t24-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161198
PNG
(CHEMBL3787416)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cnc2ccccn12 |r,wD:3.2,(1.42,-3.61,;2.24,-2.69,;3.74,-3,;4.23,-4.46,;3.13,-5.64,;3.63,-7.17,;5.21,-7.5,;6.3,-6.3,;5.81,-4.76,;4.62,-5.25,;4.98,-6.45,;1.75,-1.23,;2.65,.02,;1.75,1.23,;.3,.77,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1S/C15H18N4O/c20-15(13-9-16-14-3-1-2-6-19(13)14)17-12-10-18-7-4-11(12)5-8-18/h1-3,6,9,11-12H,4-5,7-8,10H2,(H,17,20)/t12-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161184
PNG
(CHEMBL3787485)
Show SMILES Cc1ccccc1-c1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:19.21,(1.37,3.26,;.31,3.87,;.3,5.41,;-1.04,6.17,;-2.37,5.4,;-2.36,3.86,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|
Show InChI InChI=1S/C23H25N3O/c1-16-5-2-3-7-20(16)22-8-4-6-19-13-18(14-26(19)22)23(27)24-21-15-25-11-9-17(21)10-12-25/h2-8,13-14,17,21H,9-12,15H2,1H3,(H,24,27)/t21-/m0/s1
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n/an/an/an/a 4.64E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161212
PNG
(CHEMBL3785383)
Show SMILES Cl.CCOC(=O)c1cc(C(=O)c2cccc(c2)C(F)(F)F)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:30.31,(10.3,.74,;5.44,-4.72,;4.24,-4.47,;3.75,-3.01,;2.24,-2.7,;1.42,-3.62,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.77,1.86,;6.28,2.18,;6.76,3.64,;5.74,4.79,;4.23,4.48,;6.22,6.25,;5.4,7.17,;7.43,6.5,;6.61,7.42,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.72,-1.53,;-4.78,-.91,;-3.72,-3.07,;-5.06,-3.84,;-6.44,-2.99,;-7.84,-3.78,;-7.86,-5.4,;-6.46,-6.24,;-5.04,-5.46,;-5.76,-4.38,;-6.87,-4.97,)|
Show InChI InChI=1S/C27H26F3N3O4.ClH/c1-2-37-26(36)20-14-23(24(34)17-4-3-5-19(12-17)27(28,29)30)33-11-8-18(13-22(20)33)25(35)31-21-15-32-9-6-16(21)7-10-32;/h3-5,8,11-14,16,21H,2,6-7,9-10,15H2,1H3,(H,31,35);1H/t21-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161207
PNG
(CHEMBL3785274)
Show SMILES Brc1ccc2cc(cn2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.44,1.38,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;-1.03,1.55,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18BrN3O/c17-13-1-2-14-7-12(8-20(14)9-13)16(21)18-15-10-19-5-3-11(15)4-6-19/h1-2,7-9,11,15H,3-6,10H2,(H,18,21)/t15-/m0/s1
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n/an/an/an/a 9.63E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160615
PNG
(CHEMBL3785578)
Show SMILES CN(C)c1cccc(c1)-c1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:21.23,(1.62,7.42,;1.63,6.19,;2.7,5.58,;.3,5.41,;-1.04,6.17,;-2.37,5.4,;-2.36,3.86,;-1.02,3.09,;.31,3.87,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|
Show InChI InChI=1S/C24H28N4O/c1-26(2)20-6-3-5-18(13-20)23-8-4-7-21-14-19(15-28(21)23)24(29)25-22-16-27-11-9-17(22)10-12-27/h3-8,13-15,17,22H,9-12,16H2,1-2H3,(H,25,29)/t22-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161176
PNG
(CHEMBL3787650)
Show SMILES Fc1cccn2cc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,-2.78,;-1.03,-1.55,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.65,.02,;1.76,-1.23,;.3,-.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18FN3O/c17-13-2-1-5-20-9-12(8-15(13)20)16(21)18-14-10-19-6-3-11(14)4-7-19/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,18,21)/t14-/m0/s1
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n/an/an/an/a 2.83E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161175
PNG
(CHEMBL3785845)
Show SMILES Cl.Brc1cccc(c1)C(=O)c1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccn12 |r,wD:16.15,(9.33,-.63,;6.12,5.96,;5.74,4.79,;6.76,3.64,;6.28,2.18,;4.77,1.86,;3.75,3.01,;4.23,4.48,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.75,-3.01,;4.24,-4.47,;3.14,-5.65,;3.64,-7.18,;5.22,-7.52,;6.32,-6.32,;5.83,-4.77,;4.63,-5.27,;5,-6.47,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)|
Show InChI InChI=1S/C23H22BrN3O2.ClH/c24-17-5-3-4-16(12-17)22(28)21-13-18(20-6-1-2-9-27(20)21)23(29)25-19-14-26-10-7-15(19)8-11-26;/h1-6,9,12-13,15,19H,7-8,10-11,14H2,(H,25,29);1H/t19-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161208
PNG
(CHEMBL3786196)
Show SMILES Clc1ccc2cc(cn2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.44,1.38,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;-1.03,1.55,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18ClN3O/c17-13-1-2-14-7-12(8-20(14)9-13)16(21)18-15-10-19-5-3-11(15)4-6-19/h1-2,7-9,11,15H,3-6,10H2,(H,18,21)/t15-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161203
PNG
(CHEMBL3786064)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(cn2c1)-c1cccs1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.71,1.53,;-5.1,.89,;-6.13,2.04,;-5.37,3.37,;-3.86,3.05,)|
Show InChI InChI=1S/C20H21N3OS/c24-20(21-18-13-22-7-5-14(18)6-8-22)16-10-17-4-3-15(11-23(17)12-16)19-2-1-9-25-19/h1-4,9-12,14,18H,5-8,13H2,(H,21,24)/t18-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160599
PNG
(CHEMBL3786022)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.24,(.02,8.34,;-1.04,7.71,;-2.11,8.33,;-1.05,8.95,;-1.04,6.17,;.3,5.41,;.31,3.87,;-1.02,3.09,;-2.36,3.86,;-2.37,5.4,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|
Show InChI InChI=1S/C26H31N3O/c1-26(2,3)21-9-7-19(8-10-21)24-6-4-5-22-15-20(16-29(22)24)25(30)27-23-17-28-13-11-18(23)12-14-28/h4-10,15-16,18,23H,11-14,17H2,1-3H3,(H,27,30)/t23-/m0/s1
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n/an/an/an/a 8.60E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161181
PNG
(CHEMBL3786757)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(ccn2c1)-c1ccccc1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.71,-1.53,;-3.72,-3.07,;-5.05,-3.84,;-6.38,-3.07,;-6.38,-1.53,;-5.05,-.76,)|
Show InChI InChI=1S/C22H23N3O/c26-22(23-21-15-24-9-6-17(21)7-10-24)19-13-20-12-18(8-11-25(20)14-19)16-4-2-1-3-5-16/h1-5,8,11-14,17,21H,6-7,9-10,15H2,(H,23,26)/t21-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161178
PNG
(CHEMBL3785483)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(cn2c1)-c1ccccc1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.71,1.53,;-3.72,3.07,;-5.05,3.84,;-6.38,3.07,;-6.38,1.53,;-5.05,.76,)|
Show InChI InChI=1S/C22H23N3O/c26-22(23-21-15-24-10-8-17(21)9-11-24)19-12-20-7-6-18(13-25(20)14-19)16-4-2-1-3-5-16/h1-7,12-14,17,21H,8-11,15H2,(H,23,26)/t21-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161250
PNG
(CHEMBL3786875)
Show SMILES Cl.CCOC(=O)c1cc(C(=O)c2cccc(c2)[N+]([O-])=O)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:29.30,(10.3,.58,;5.44,-4.72,;4.24,-4.47,;3.75,-3.01,;2.24,-2.7,;1.42,-3.62,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.77,1.86,;6.28,2.18,;6.76,3.64,;5.74,4.79,;4.23,4.48,;6.22,6.25,;5.4,7.17,;7.43,6.5,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.72,-1.53,;-4.78,-.91,;-3.72,-3.07,;-5.06,-3.84,;-6.44,-2.99,;-7.84,-3.78,;-7.86,-5.4,;-6.46,-6.24,;-5.04,-5.46,;-5.76,-4.38,;-6.87,-4.97,)|
Show InChI InChI=1S/C26H26N4O6.ClH/c1-2-36-26(33)20-14-23(24(31)17-4-3-5-19(12-17)30(34)35)29-11-8-18(13-22(20)29)25(32)27-21-15-28-9-6-16(21)7-10-28;/h3-5,8,11-14,16,21H,2,6-7,9-10,15H2,1H3,(H,27,32);1H/t21-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160689
PNG
(CHEMBL3785700)
Show SMILES Cl.CCOC(=O)c1cc(C(=O)c2cccc(Cl)c2)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:27.28,(9.33,.01,;5.44,-4.72,;4.24,-4.47,;3.75,-3.01,;2.24,-2.7,;1.42,-3.62,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.77,1.86,;6.28,2.18,;6.76,3.64,;5.74,4.79,;6.12,5.96,;4.23,4.48,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.72,-1.53,;-4.78,-.91,;-3.72,-3.07,;-5.06,-3.84,;-6.44,-2.99,;-7.84,-3.78,;-7.86,-5.4,;-6.46,-6.24,;-5.04,-5.46,;-5.76,-4.38,;-6.87,-4.97,)|
Show InChI InChI=1S/C19H25Cl2N7O/c1-27-16(11-15(26-27)13-3-2-4-14(20)17(13)21)12-5-9-28(10-6-12)19(29)25-8-7-24-18(22)23/h2-4,11-12H,5-10H2,1H3,(H,25,29)(H4,22,23,24)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160690
PNG
(CHEMBL3786509)
Show SMILES Cl.CCOC(=O)c1cc(C(=O)c2ccc(Cl)c(Cl)c2)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:28.29,(10.84,.01,;5.44,-4.72,;4.24,-4.47,;3.75,-3.01,;2.24,-2.7,;1.42,-3.62,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.77,1.86,;6.28,2.18,;6.76,3.64,;7.97,3.89,;5.74,4.79,;6.12,5.96,;4.23,4.48,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.72,-1.53,;-4.78,-.91,;-3.72,-3.07,;-5.06,-3.84,;-6.44,-2.99,;-7.84,-3.78,;-7.86,-5.4,;-6.46,-6.24,;-5.04,-5.46,;-5.76,-4.38,;-6.87,-4.97,)|
Show InChI InChI=1S/C22H30Cl2N8O2/c1-27-20(33)16(29-21(25)26)6-9-28-22(34)32-10-7-13(8-11-32)18-12-17(30-31(18)2)14-4-3-5-15(23)19(14)24/h3-5,12-13,16H,6-11H2,1-2H3,(H,27,33)(H,28,34)(H4,25,26,29)/t16-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161193
PNG
(CHEMBL3787199)
Show SMILES Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccc(cc2)-c2ccccc2)n2ccccc12 |r,wD:4.2,(13.85,-.9,;1.42,-3.62,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;3.14,-5.65,;3.64,-7.18,;5.22,-7.52,;6.32,-6.32,;5.83,-4.77,;4.63,-5.27,;5,-6.47,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.23,4.48,;5.74,4.79,;6.76,3.64,;6.28,2.18,;4.77,1.86,;8.27,3.95,;8.76,5.42,;10.26,5.73,;11.29,4.58,;10.8,3.11,;9.3,2.8,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1S/C29H27N3O2.ClH/c33-28(23-11-9-21(10-12-23)20-6-2-1-3-7-20)27-18-24(26-8-4-5-15-32(26)27)29(34)30-25-19-31-16-13-22(25)14-17-31;/h1-12,15,18,22,25H,13-14,16-17,19H2,(H,30,34);1H/t25-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161185
PNG
(CHEMBL3786349)
Show SMILES Cc1cccc(c1)-c1ccc2cc(cn2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:19.21,(-7.45,.91,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|
Show InChI InChI=1S/C23H25N3O/c1-16-3-2-4-18(11-16)19-5-6-21-12-20(14-26(21)13-19)23(27)24-22-15-25-9-7-17(22)8-10-25/h2-6,11-14,17,22H,7-10,15H2,1H3,(H,24,27)/t22-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161180
PNG
(CHEMBL3787659)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2c(cccn2c1)-c1ccccc1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-1.02,-3.09,;.31,-3.87,;.3,-5.41,;-1.04,-6.17,;-2.37,-5.4,;-2.36,-3.86,)|
Show InChI InChI=1S/C22H23N3O/c26-22(23-20-15-24-11-8-17(20)9-12-24)18-13-21-19(7-4-10-25(21)14-18)16-5-2-1-3-6-16/h1-7,10,13-14,17,20H,8-9,11-12,15H2,(H,23,26)/t20-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161255
PNG
(CHEMBL3786288)
Show SMILES Cl.Brc1ccccc1C(=O)c1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccn12 |r,wD:16.15,(9.33,-.95,;3.41,5.4,;4.23,4.48,;5.74,4.79,;6.76,3.64,;6.28,2.18,;4.77,1.86,;3.75,3.01,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.75,-3.01,;4.24,-4.47,;3.14,-5.65,;3.64,-7.18,;5.22,-7.52,;6.32,-6.32,;5.83,-4.77,;4.63,-5.27,;5,-6.47,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)|
Show InChI InChI=1S/C23H22BrN3O2.ClH/c24-18-6-2-1-5-16(18)22(28)21-13-17(20-7-3-4-10-27(20)21)23(29)25-19-14-26-11-8-15(19)9-12-26;/h1-7,10,13,15,19H,8-9,11-12,14H2,(H,25,29);1H/t19-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161205
PNG
(CHEMBL3785589)
Show SMILES Cc1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-1.02,2.78,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.65,.02,;1.76,1.23,;.3,.77,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C17H21N3O/c1-12-3-2-4-15-9-14(10-20(12)15)17(21)18-16-11-19-7-5-13(16)6-8-19/h2-4,9-10,13,16H,5-8,11H2,1H3,(H,18,21)/t16-/m0/s1
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n/an/an/an/a 2.14E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160618
PNG
(CHEMBL3787649)
Show SMILES Cl.CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:26.27,(9.33,-.72,;5.44,-4.72,;4.24,-4.47,;3.75,-3.01,;2.24,-2.7,;1.42,-3.62,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.23,4.48,;5.74,4.79,;6.76,3.64,;6.28,2.18,;4.77,1.86,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.72,-1.53,;-4.78,-.91,;-3.72,-3.07,;-5.06,-3.84,;-6.44,-2.99,;-7.84,-3.78,;-7.86,-5.4,;-6.46,-6.24,;-5.04,-5.46,;-5.76,-4.38,;-6.87,-4.97,)|
Show InChI InChI=1S/C26H27N3O4.ClH/c1-2-33-26(32)20-15-23(24(30)18-6-4-3-5-7-18)29-13-10-19(14-22(20)29)25(31)27-21-16-28-11-8-17(21)9-12-28;/h3-7,10,13-15,17,21H,2,8-9,11-12,16H2,1H3,(H,27,31);1H/t21-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161197
PNG
(CHEMBL3787676)
Show SMILES Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccc3ccccc3c2)n2ccccc12 |r,wD:4.2,(5.24,-2.44,;-8.83,-2.62,;-7.61,-2.48,;-6.69,-3.72,;-7.3,-5.14,;-8.91,-5.29,;-9.57,-6.77,;-8.61,-8.08,;-6.99,-7.91,;-6.32,-6.43,;-7.54,-6,;-8.07,-7.14,;-6.99,-1.07,;-5.48,-.73,;-5.36,.77,;-4.02,1.54,;-4.03,2.77,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-6.75,1.4,;-7.21,2.88,;-8.74,3.19,;-9.77,2.04,;-9.29,.56,;-7.77,.25,)|
Show InChI InChI=1S/C27H25N3O2.ClH/c31-26(21-9-8-18-5-1-2-6-20(18)15-21)25-16-22(24-7-3-4-12-30(24)25)27(32)28-23-17-29-13-10-19(23)11-14-29;/h1-9,12,15-16,19,23H,10-11,13-14,17H2,(H,28,32);1H/t23-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161194
PNG
(CHEMBL3785097)
Show SMILES Cl.Fc1ccccc1C(=O)c1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccn12 |r,wD:16.15,(9.33,-.95,;3.41,5.4,;4.23,4.48,;5.74,4.79,;6.76,3.64,;6.28,2.18,;4.77,1.86,;3.75,3.01,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.75,-3.01,;4.24,-4.47,;3.14,-5.65,;3.64,-7.18,;5.22,-7.52,;6.32,-6.32,;5.83,-4.77,;4.63,-5.27,;5,-6.47,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)|
Show InChI InChI=1S/C23H22FN3O2.ClH/c24-18-6-2-1-5-16(18)22(28)21-13-17(20-7-3-4-10-27(20)21)23(29)25-19-14-26-11-8-15(19)9-12-26;/h1-7,10,13,15,19H,8-9,11-12,14H2,(H,25,29);1H/t19-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161183
PNG
(CHEMBL3787561)
Show SMILES Cc1cccc(c1)-c1cccc2cc(cn12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:19.21,(-3.44,6.01,;-2.37,5.4,;-1.04,6.17,;.3,5.41,;.31,3.87,;-1.02,3.09,;-2.36,3.86,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|
Show InChI InChI=1S/C23H25N3O/c1-16-4-2-5-18(12-16)22-7-3-6-20-13-19(14-26(20)22)23(27)24-21-15-25-10-8-17(21)9-11-25/h2-7,12-14,17,21H,8-11,15H2,1H3,(H,24,27)/t21-/m0/s1
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n/an/an/an/a 3.99E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161251
PNG
(CHEMBL3786717)
Show SMILES Cl.Clc1cccc(c1)C(=O)c1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccn12 |r,wD:16.15,(9.33,-.63,;6.12,5.96,;5.74,4.79,;6.76,3.64,;6.28,2.18,;4.77,1.86,;3.75,3.01,;4.23,4.48,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.75,-3.01,;4.24,-4.47,;3.14,-5.65,;3.64,-7.18,;5.22,-7.52,;6.32,-6.32,;5.83,-4.77,;4.63,-5.27,;5,-6.47,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)|
Show InChI InChI=1S/C23H22ClN3O2.ClH/c24-17-5-3-4-16(12-17)22(28)21-13-18(20-6-1-2-9-27(20)21)23(29)25-19-14-26-10-7-15(19)8-11-26;/h1-6,9,12-13,15,19H,7-8,10-11,14H2,(H,25,29);1H/t19-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161210
PNG
(CHEMBL3786711)
Show SMILES Clc1ccn2cc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.44,-1.38,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.65,.02,;1.76,-1.23,;.3,-.77,;-1.03,-1.55,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18ClN3O/c17-13-3-6-20-9-12(7-14(20)8-13)16(21)18-15-10-19-4-1-11(15)2-5-19/h3,6-9,11,15H,1-2,4-5,10H2,(H,18,21)/t15-/m0/s1
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n/an/an/an/a 6.92E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161199
PNG
(CHEMBL3787675)
Show SMILES Cc1nc2c(Br)cccn2c1C(=O)N[C@H]1CN2CCC1CC2 |r,wD:14.15,(3.88,.03,;2.65,.02,;1.76,1.23,;.3,.77,;-1.03,1.55,;-1.02,2.78,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.24,-2.69,;1.42,-3.61,;3.75,-3,;4.23,-4.46,;3.13,-5.64,;3.63,-7.17,;5.21,-7.51,;6.3,-6.31,;5.82,-4.77,;4.63,-5.26,;4.99,-6.46,)|
Show InChI InChI=1S/C16H19BrN4O/c1-10-14(21-6-2-3-12(17)15(21)18-10)16(22)19-13-9-20-7-4-11(13)5-8-20/h2-3,6,11,13H,4-5,7-9H2,1H3,(H,19,22)/t13-/m0/s1
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Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161256
PNG
(CHEMBL3787259)
Show SMILES Cl.Clc1ccc(cc1)C(=O)c1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccn12 |r,wD:16.15,(10.84,-1.37,;7.97,3.89,;6.76,3.64,;5.74,4.79,;4.23,4.48,;3.75,3.01,;4.77,1.86,;6.28,2.18,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.75,-3.01,;4.24,-4.47,;3.14,-5.65,;3.64,-7.18,;5.22,-7.52,;6.32,-6.32,;5.83,-4.77,;4.63,-5.27,;5,-6.47,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)|
Show InChI InChI=1S/C23H22ClN3O2.ClH/c24-17-6-4-16(5-7-17)22(28)21-13-18(20-3-1-2-10-27(20)21)23(29)25-19-14-26-11-8-15(19)9-12-26;/h1-7,10,13,15,19H,8-9,11-12,14H2,(H,25,29);1H/t19-;/m0./s1
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Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161247
PNG
(CHEMBL3786253)
Show SMILES Cl.CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2ccc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:27.28,(10.84,-.72,;5.44,-4.72,;4.24,-4.47,;3.75,-3.01,;2.24,-2.7,;1.42,-3.62,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.23,4.48,;5.74,4.79,;6.76,3.64,;7.97,3.89,;6.28,2.18,;4.77,1.86,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.72,-1.53,;-4.78,-.91,;-3.72,-3.07,;-5.06,-3.84,;-6.44,-2.99,;-7.84,-3.78,;-7.86,-5.4,;-6.46,-6.24,;-5.04,-5.46,;-5.76,-4.38,;-6.87,-4.97,)|
Show InChI InChI=1S/C26H26FN3O4.ClH/c1-2-34-26(33)20-14-23(24(31)17-3-5-19(27)6-4-17)30-12-9-18(13-22(20)30)25(32)28-21-15-29-10-7-16(21)8-11-29;/h3-6,9,12-14,16,21H,2,7-8,10-11,15H2,1H3,(H,28,32);1H/t21-;/m0./s1
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Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160598
PNG
(CHEMBL3787203)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(cn2c1)-c1ccsc1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.71,1.53,;-5.1,.89,;-6.13,2.04,;-5.37,3.37,;-3.86,3.05,)|
Show InChI InChI=1S/C20H21N3OS/c24-20(21-19-12-22-6-3-14(19)4-7-22)17-9-18-2-1-15(10-23(18)11-17)16-5-8-25-13-16/h1-2,5,8-11,13-14,19H,3-4,6-7,12H2,(H,21,24)/t19-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161187
PNG
(CHEMBL3786302)
Show SMILES Cc1ccccc1-c1ccc2cc(cn2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:19.21,(-2.65,3.69,;-3.72,3.07,;-5.05,3.84,;-6.38,3.07,;-6.38,1.53,;-5.05,.76,;-3.71,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,)|
Show InChI InChI=1S/C23H25N3O/c1-16-4-2-3-5-21(16)18-6-7-20-12-19(14-26(20)13-18)23(27)24-22-15-25-10-8-17(22)9-11-25/h2-7,12-14,17,22H,8-11,15H2,1H3,(H,24,27)/t22-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161209
PNG
(CHEMBL3786847)
Show SMILES Brc1ccn2cc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.44,-1.38,;-2.37,-.77,;-2.37,.77,;-1.03,1.55,;.3,.77,;1.76,1.23,;2.65,.02,;1.76,-1.23,;.3,-.77,;-1.03,-1.55,;4.19,.04,;4.82,-1.02,;4.94,1.38,;6.48,1.4,;7.27,0,;8.88,.01,;9.68,1.42,;8.86,2.82,;7.25,2.82,;7.36,1.54,;8.61,1.52,)|
Show InChI InChI=1S/C16H18BrN3O/c17-13-3-6-20-9-12(7-14(20)8-13)16(21)18-15-10-19-4-1-11(15)2-5-19/h3,6-9,11,15H,1-2,4-5,10H2,(H,18,21)/t15-/m0/s1
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n/an/an/an/a 1.05E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161202
PNG
(CHEMBL3787063)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccsc3)n2c1 |r,wD:3.2,(4.83,-1.02,;4.2,.04,;4.95,1.38,;6.49,1.4,;7.29,0,;8.9,.01,;9.7,1.42,;8.88,2.83,;7.26,2.83,;7.37,1.54,;8.62,1.52,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.02,3.09,;-2.27,3.97,;-1.8,5.44,;-.26,5.44,;.22,3.98,;.3,.77,;1.76,1.24,)|
Show InChI InChI=1S/C20H21N3OS/c24-20(21-18-12-22-7-4-14(18)5-8-22)16-10-17-2-1-3-19(23(17)11-16)15-6-9-25-13-15/h1-3,6,9-11,13-14,18H,4-5,7-8,12H2,(H,21,24)/t18-/m0/s1
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PubMed
n/an/an/an/a 3.54E+3n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50393255
PNG
(CHEMBL2151572)
Show SMILES Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(9.9,-24.54,;9.14,-23.2,;9.91,-21.88,;9.15,-20.54,;7.62,-20.54,;6.85,-21.86,;5.34,-22.17,;5.18,-23.71,;6.58,-24.33,;7.61,-23.19,;3.84,-24.47,;3.84,-26.01,;2.51,-23.7,;1.17,-24.46,;1.17,-26,;-.16,-26.76,;-1.49,-26,;-1.49,-24.46,;-.16,-23.68,;.6,-25.01,;-.89,-25.41,)|
Show InChI InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1
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n/an/an/an/a 340n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50160617
PNG
(CHEMBL3785410)
Show SMILES Cl.CCOC(=O)c1cc(C(=O)c2ccccc2)n2cc(ccc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:26.27,(7.78,1.47,;-10.21,2.48,;-9.4,1.55,;-7.89,1.86,;-6.87,.7,;-7.26,-.47,;-5.36,1,;-4.71,2.4,;-3.21,2.22,;-2.18,3.36,;-.98,3.1,;-2.65,4.83,;-1.62,5.97,;-2.09,7.44,;-3.6,7.76,;-4.63,6.62,;-4.16,5.15,;-2.9,.72,;-1.56,-.04,;-1.57,-1.6,;-2.91,-2.36,;-4.26,-1.58,;-4.23,-.04,;-.25,-2.38,;-.26,-3.62,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|
Show InChI InChI=1S/C26H27N3O4.ClH/c1-2-33-26(32)20-14-23(24(30)18-6-4-3-5-7-18)29-15-19(8-9-22(20)29)25(31)27-21-16-28-12-10-17(21)11-13-28;/h3-9,14-15,17,21H,2,10-13,16H2,1H3,(H,27,31);1H/t21-;/m0./s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes

Eur J Med Chem 115: 94-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.016
BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%