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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'pérez' and Initial = 'eg'   
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-4/beta-2


(Homo sapiens (Human))
BDBM50209213
PNG
((S)-9-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6...)
Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O
Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
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910n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50209215
PNG
(CHEMBL225851 | predicentrine methiodide)
Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c4-c2cc1OC
Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
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970n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50209214
PNG
(CHEMBL388341 | boldine methiodide)
Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O
Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50209212
PNG
(CHEMBL225852 | cid_14262872 | glaucine methiodide)
Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC
Show InChI InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50209213
PNG
((S)-9-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6...)
Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O
Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50209214
PNG
(CHEMBL388341 | boldine methiodide)
Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O
Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50209212
PNG
(CHEMBL225852 | cid_14262872 | glaucine methiodide)
Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC
Show InChI InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50209215
PNG
(CHEMBL225851 | predicentrine methiodide)
Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c4-c2cc1OC
Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
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2.10E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50202340
PNG
((S)-3-bromo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetra...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H20BrNO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50209211
PNG
(3,8-dibromoboldine | CHEMBL388564)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)c(Br)c1O |r|
Show InChI InChI=1S/C19H19Br2NO4/c1-22-5-4-8-13-11(22)6-10-9(7-12(25-2)17(23)16(10)21)14(13)19(26-3)18(24)15(8)20/h7,11,23-24H,4-6H2,1-3H3/t11-/m0/s1
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3.10E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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6.70E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50202340
PNG
((S)-3-bromo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetra...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H20BrNO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1
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8.30E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50209211
PNG
(3,8-dibromoboldine | CHEMBL388564)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)c(Br)c1O |r|
Show InChI InChI=1S/C19H19Br2NO4/c1-22-5-4-8-13-11(22)6-10-9(7-12(25-2)17(23)16(10)21)14(13)19(26-3)18(24)15(8)20/h7,11,23-24H,4-6H2,1-3H3/t11-/m0/s1
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9.50E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50209213
PNG
((S)-9-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6...)
Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O
Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50209215
PNG
(CHEMBL225851 | predicentrine methiodide)
Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c4-c2cc1OC
Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50209214
PNG
(CHEMBL388341 | boldine methiodide)
Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O
Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50209213
PNG
((S)-9-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6...)
Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O
Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50209214
PNG
(CHEMBL388341 | boldine methiodide)
Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O
Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50209212
PNG
(CHEMBL225852 | cid_14262872 | glaucine methiodide)
Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC
Show InChI InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50209215
PNG
(CHEMBL225851 | predicentrine methiodide)
Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c4-c2cc1OC
Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50209212
PNG
(CHEMBL225852 | cid_14262872 | glaucine methiodide)
Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC
Show InChI InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a 8.10E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50202340
PNG
((S)-3-bromo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetra...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H20BrNO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1
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n/an/a 9.90E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50202340
PNG
((S)-3-bromo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetra...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)cc1O |r|
Show InChI InChI=1S/C19H20BrNO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50209211
PNG
(3,8-dibromoboldine | CHEMBL388564)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)c(Br)c1O |r|
Show InChI InChI=1S/C19H19Br2NO4/c1-22-5-4-8-13-11(22)6-10-9(7-12(25-2)17(23)16(10)21)14(13)19(26-3)18(24)15(8)20/h7,11,23-24H,4-6H2,1-3H3/t11-/m0/s1
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n/an/a 1.01E+5n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50209211
PNG
(3,8-dibromoboldine | CHEMBL388564)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)c(Br)c1O |r|
Show InChI InChI=1S/C19H19Br2NO4/c1-22-5-4-8-13-11(22)6-10-9(7-12(25-2)17(23)16(10)21)14(13)19(26-3)18(24)15(8)20/h7,11,23-24H,4-6H2,1-3H3/t11-/m0/s1
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n/an/a 1.14E+5n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


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


Bioorg Med Chem 15: 3368-72 (2007)


Article DOI: 10.1016/j.bmc.2007.03.023
BindingDB Entry DOI: 10.7270/Q2G73DDV
More data for this
Ligand-Target Pair