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PubMed code 24274400

Compile data set for download or QSAR
Found 28 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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446495
PNG
(CHEMBL3110029)
Show SMILES NC1=NC[C@H](CCCCN2C[C@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Br)cc3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C37H41BrCl2N6/c38-31-13-9-26(10-14-31)16-20-46-33(22-28-8-12-29-5-1-2-6-30(29)21-28)25-44(37(46)42)18-4-3-7-32-24-43-36(41)45(32)19-17-27-11-15-34(39)35(40)23-27/h1-2,5-6,8-15,21,23,32-33,42H,3-4,7,16-20,22,24-25H2,(H2,41,43)/t32-,33-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446499
PNG
(CHEMBL3110025)
Show SMILES NC1=NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3cccc(Br)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C37H41BrCl2N6/c38-31-9-5-6-26(21-31)16-19-46-33(22-28-11-13-29-7-1-2-8-30(29)20-28)25-44(37(46)42)17-4-3-10-32-24-43-36(41)45(32)18-15-27-12-14-34(39)35(40)23-27/h1-2,5-9,11-14,20-21,23,32-33,42H,3-4,10,15-19,22,24-25H2,(H2,41,43)/t32-,33+/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446498
PNG
(CHEMBL3110026)
Show SMILES NC1=NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Br)cc3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C37H41BrCl2N6/c38-31-13-9-26(10-14-31)16-20-46-33(22-28-8-12-29-5-1-2-6-30(29)21-28)25-44(37(46)42)18-4-3-7-32-24-43-36(41)45(32)19-17-27-11-15-34(39)35(40)23-27/h1-2,5-6,8-15,21,23,32-33,42H,3-4,7,16-20,22,24-25H2,(H2,41,43)/t32-,33+/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha3/beta4/alpha5


(Homo sapiens (Human))
BDBM50446500
PNG
(CHEMBL3110043)
Show SMILES CC(C)(C)C1CCC(CN2[C@H](Cc3ccccc3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wU:24.24,wD:10.10,t:27,(16.16,-3.43,;15.45,-4.79,;13.91,-4.85,;14.66,-3.45,;16.27,-6.09,;17.8,-6.04,;18.62,-7.33,;17.9,-8.69,;18.73,-9.98,;18.05,-11.38,;18.98,-12.6,;20.52,-12.58,;21.27,-11.24,;20.48,-9.92,;21.22,-8.58,;22.77,-8.55,;23.55,-9.87,;22.81,-11.22,;18.09,-13.87,;16.62,-13.41,;15.28,-14.17,;13.95,-13.38,;12.6,-14.14,;11.28,-13.35,;9.94,-14.11,;9.96,-15.65,;8.5,-16.14,;7.58,-14.9,;6.04,-14.91,;8.47,-13.65,;7.77,-12.28,;6.22,-12.21,;5.44,-10.88,;6.2,-9.54,;5.42,-8.22,;3.88,-8.23,;3.12,-9.56,;3.9,-10.89,;16.59,-11.87,;15.34,-10.98,;16.37,-8.76,;15.55,-7.45,)|
Show InChI InChI=1S/C35H53N7/c1-35(2,3)30-16-14-29(15-17-30)25-42-32(22-27-10-5-4-6-11-27)26-40(34(42)37)20-8-7-13-31-24-39-33(36)41(31)21-18-28-12-9-19-38-23-28/h4-6,9-12,19,23,29-32,37H,7-8,13-18,20-22,24-26H2,1-3H3,(H2,36,39)/t29?,30?,31-,32+/m0/s1
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9.06E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity to alpha3beta4alpha5 nAChR (unknown origin)


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446501
PNG
(CHEMBL1319741 | Dihydro-Beta-Erythroidine Hydrobro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 |r,t:4,11|
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446485
PNG
(CHEMBL3110039)
Show SMILES CCCCCCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCc3cccc(Br)c3)C2=N)CN=C1N |r,c:39|
Show InChI InChI=1S/C32H47BrN6/c1-2-3-4-5-10-20-38-29(24-36-31(38)34)17-9-11-19-37-25-30(23-26-13-7-6-8-14-26)39(32(37)35)21-18-27-15-12-16-28(33)22-27/h6-8,12-16,22,29-30,35H,2-5,9-11,17-21,23-25H2,1H3,(H2,34,36)/t29-,30+/m0/s1
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1.44E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446486
PNG
(CHEMBL3110038)
Show SMILES NC1=NC[C@H](CCCCN2C[C@@H](CC3CCCCC3)N(CCc3cccc(Br)c3)C2=N)N1CCc1cccc(F)c1 |r,t:1|
Show InChI InChI=1S/C33H46BrFN6/c34-28-12-6-10-26(20-28)16-19-41-31(22-25-8-2-1-3-9-25)24-39(33(41)37)17-5-4-14-30-23-38-32(36)40(30)18-15-27-11-7-13-29(35)21-27/h6-7,10-13,20-21,25,30-31,37H,1-5,8-9,14-19,22-24H2,(H2,36,38)/t30-,31+/m0/s1
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2.01E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446487
PNG
(CHEMBL3110037)
Show SMILES NC1=NC[C@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCc3cccc(Br)c3)C2=N)N1CCc1cccc(F)c1 |r,t:1|
Show InChI InChI=1S/C33H40BrFN6/c34-28-12-6-10-26(20-28)16-19-41-31(22-25-8-2-1-3-9-25)24-39(33(41)37)17-5-4-14-30-23-38-32(36)40(30)18-15-27-11-7-13-29(35)21-27/h1-3,6-13,20-21,30-31,37H,4-5,14-19,22-24H2,(H2,36,38)/t30-,31+/m0/s1
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2.04E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446484
PNG
(CHEMBL3110040)
Show SMILES CCCCCCCN1[C@@H](CCCCN2C[C@@H](CC3CCCCC3)N(CCc3cccc(Br)c3)C2=N)CN=C1N |r,c:39|
Show InChI InChI=1S/C32H53BrN6/c1-2-3-4-5-10-20-38-29(24-36-31(38)34)17-9-11-19-37-25-30(23-26-13-7-6-8-14-26)39(32(37)35)21-18-27-15-12-16-28(33)22-27/h12,15-16,22,26,29-30,35H,2-11,13-14,17-21,23-25H2,1H3,(H2,34,36)/t29-,30+/m0/s1
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2.34E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446508
PNG
(CHEMBL3110044)
Show SMILES CC(C)(C)C1CCC(CN2[C@@H](Cc3ccccc3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wU:10.10,24.24,t:27,(41.24,-2.68,;40.53,-4.04,;38.99,-4.1,;39.74,-2.7,;41.35,-5.35,;42.88,-5.29,;43.7,-6.58,;42.98,-7.94,;43.81,-9.23,;43.13,-10.63,;44.06,-11.86,;45.6,-11.83,;46.35,-10.49,;45.56,-9.17,;46.3,-7.83,;47.85,-7.8,;48.63,-9.13,;47.89,-10.47,;43.17,-13.12,;41.7,-12.66,;40.36,-13.42,;39.03,-12.64,;37.69,-13.39,;36.36,-12.6,;35.02,-13.36,;35.04,-14.9,;33.58,-15.39,;32.66,-14.15,;31.12,-14.17,;33.55,-12.9,;32.85,-11.53,;31.3,-11.46,;30.52,-10.13,;31.28,-8.79,;30.5,-7.47,;28.96,-7.48,;28.2,-8.82,;28.99,-10.14,;41.67,-11.12,;40.42,-10.24,;41.45,-8.01,;40.63,-6.71,)|
Show InChI InChI=1S/C35H53N7/c1-35(2,3)30-16-14-29(15-17-30)25-42-32(22-27-10-5-4-6-11-27)26-40(34(42)37)20-8-7-13-31-24-39-33(36)41(31)21-18-28-12-9-19-38-23-28/h4-6,9-12,19,23,29-32,37H,7-8,13-18,20-22,24-26H2,1-3H3,(H2,36,39)/t29?,30?,31-,32-/m0/s1
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2.38E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446507
PNG
(CHEMBL3110045)
Show SMILES CC(C)(C)C1CCC(CN2CCN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wU:17.16,t:19,(14.54,-20.86,;13.82,-22.22,;12.28,-22.28,;13.04,-20.88,;14.64,-23.53,;16.18,-23.47,;16.99,-24.76,;16.28,-26.12,;17.1,-27.41,;16.42,-28.81,;17.35,-30.03,;16.46,-31.3,;14.99,-30.84,;13.65,-31.6,;12.32,-30.82,;10.98,-31.57,;9.65,-30.78,;8.31,-31.54,;8.33,-33.08,;6.87,-33.57,;5.95,-32.33,;4.41,-32.35,;6.84,-31.08,;6.14,-29.71,;4.59,-29.64,;3.82,-28.31,;4.58,-26.97,;3.79,-25.65,;2.26,-25.66,;1.49,-26.99,;2.28,-28.32,;14.97,-29.3,;13.71,-28.42,;14.75,-26.19,;13.93,-24.89,)|
Show InChI InChI=1S/C28H47N7/c1-28(2,3)24-11-9-23(10-12-24)21-34-18-17-33(27(34)30)15-5-4-8-25-20-32-26(29)35(25)16-13-22-7-6-14-31-19-22/h6-7,14,19,23-25,30H,4-5,8-13,15-18,20-21H2,1-3H3,(H2,29,32)/t23?,24?,25-/m0/s1
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2.76E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446502
PNG
(CHEMBL3110050)
Show SMILES CC(C)(C)C1CCC(CN2[C@H](CC3CCCCC3)CN(CCCC[C@@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wD:24.24,10.10,t:27,(39.51,-3.57,;38.79,-4.93,;37.25,-4.99,;38.01,-3.59,;39.62,-6.23,;41.15,-6.18,;41.97,-7.47,;41.25,-8.83,;42.07,-10.13,;41.4,-11.52,;42.33,-12.75,;43.87,-12.72,;44.66,-14.04,;43.91,-15.38,;44.69,-16.7,;46.23,-16.68,;46.99,-15.34,;46.2,-14.01,;41.44,-14.01,;39.97,-13.55,;38.62,-14.31,;37.3,-13.53,;35.96,-14.29,;34.63,-13.5,;33.29,-14.26,;33.3,-15.8,;31.84,-16.29,;30.92,-15.04,;29.38,-15.06,;31.82,-13.79,;31.11,-12.42,;29.56,-12.35,;28.79,-11.02,;29.55,-9.69,;28.77,-8.36,;27.23,-8.37,;26.46,-9.71,;27.25,-11.03,;39.94,-12.01,;38.68,-11.12,;39.72,-8.9,;38.9,-7.6,)|
Show InChI InChI=1S/C35H59N7/c1-35(2,3)30-16-14-29(15-17-30)25-42-32(22-27-10-5-4-6-11-27)26-40(34(42)37)20-8-7-13-31-24-39-33(36)41(31)21-18-28-12-9-19-38-23-28/h9,12,19,23,27,29-32,37H,4-8,10-11,13-18,20-22,24-26H2,1-3H3,(H2,36,39)/t29?,30?,31-,32-/m1/s1
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3.34E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446509
PNG
(CHEMBL3110042)
Show SMILES CC(C)CCCN1[C@@H](CCCCN2C[C@@H](CC3CCCCC3)N(CCc3cccc(Br)c3)C2=N)CN=C1N |r,c:38|
Show InChI InChI=1S/C31H51BrN6/c1-24(2)10-9-18-37-28(22-35-30(37)33)15-6-7-17-36-23-29(21-25-11-4-3-5-12-25)38(31(36)34)19-16-26-13-8-14-27(32)20-26/h8,13-14,20,24-25,28-29,34H,3-7,9-12,15-19,21-23H2,1-2H3,(H2,33,35)/t28-,29+/m0/s1
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3.73E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446483
PNG
(CHEMBL3110041)
Show SMILES CC(C)CCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCc3cccc(Br)c3)C2=N)CN=C1N |r,c:38|
Show InChI InChI=1S/C31H45BrN6/c1-24(2)10-9-18-37-28(22-35-30(37)33)15-6-7-17-36-23-29(21-25-11-4-3-5-12-25)38(31(36)34)19-16-26-13-8-14-27(32)20-26/h3-5,8,11-14,20,24,28-29,34H,6-7,9-10,15-19,21-23H2,1-2H3,(H2,33,35)/t28-,29+/m0/s1
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4.78E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446505
PNG
(CHEMBL3110047)
Show SMILES CC(C)(C)C1CCC(CN2CCN(CCCC[C@@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wD:17.16,t:19,(15.58,-38.04,;14.86,-39.4,;13.32,-39.46,;14.08,-38.06,;15.68,-40.71,;17.22,-40.65,;18.03,-41.94,;17.32,-43.3,;18.14,-44.59,;17.47,-45.99,;18.39,-47.21,;17.5,-48.48,;16.03,-48.02,;14.69,-48.78,;13.37,-48,;12.02,-48.75,;10.69,-47.96,;9.36,-48.72,;9.37,-50.26,;7.91,-50.75,;6.99,-49.51,;5.45,-49.53,;7.89,-48.26,;7.18,-46.89,;5.64,-46.82,;4.86,-45.49,;5.62,-44.15,;4.84,-42.83,;3.3,-42.84,;2.54,-44.17,;3.32,-45.5,;16.01,-46.48,;14.75,-45.6,;15.79,-43.37,;14.97,-42.07,)|
Show InChI InChI=1S/C28H47N7/c1-28(2,3)24-11-9-23(10-12-24)21-34-18-17-33(27(34)30)15-5-4-8-25-20-32-26(29)35(25)16-13-22-7-6-14-31-19-22/h6-7,14,19,23-25,30H,4-5,8-13,15-18,20-21H2,1-3H3,(H2,29,32)/t23?,24?,25-/m1/s1
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5.19E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446491
PNG
(CHEMBL3110033)
Show SMILES CCCCCCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CC3CCC(CC3)C(C)(C)C)C2=N)CN=C1N |r,wU:8.8,wD:15.15,c:41,(7.26,-26.74,;5.72,-26.67,;4.89,-27.97,;3.35,-27.9,;2.52,-29.2,;3.23,-30.56,;4.78,-30.63,;5.48,-32,;6.95,-32.46,;8.29,-31.7,;9.62,-32.49,;10.96,-31.74,;12.29,-32.52,;13.63,-31.76,;15.1,-32.22,;15.99,-30.96,;17.53,-30.93,;18.28,-29.59,;19.82,-29.58,;20.57,-28.24,;19.78,-26.91,;18.24,-26.93,;17.48,-28.28,;15.06,-29.73,;15.74,-28.34,;14.91,-27.04,;15.63,-25.68,;14.81,-24.39,;13.28,-24.45,;12.56,-25.81,;13.38,-27.11,;12.46,-23.15,;13.17,-21.78,;10.92,-23.2,;11.67,-21.8,;13.6,-30.22,;12.35,-29.34,;6.97,-34,;5.51,-34.49,;4.59,-33.25,;3.05,-33.27,)|
Show InChI InChI=1S/C35H60N6/c1-5-6-7-8-13-23-40-31(25-38-33(40)36)17-12-14-22-39-27-32(24-28-15-10-9-11-16-28)41(34(39)37)26-29-18-20-30(21-19-29)35(2,3)4/h9-11,15-16,29-32,37H,5-8,12-14,17-27H2,1-4H3,(H2,36,38)/t29?,30?,31-,32+/m0/s1
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5.44E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446490
PNG
(CHEMBL3110034)
Show SMILES CCCCCCCN1[C@@H](CCCCN2C[C@@H](CC3CCCCC3)N(CC3CCC(CC3)C(C)(C)C)C2=N)CN=C1N |r,wU:8.8,wD:15.15,c:41,(30.24,-25.86,;28.7,-25.79,;27.87,-27.09,;26.34,-27.02,;25.51,-28.32,;26.22,-29.68,;27.76,-29.75,;28.47,-31.12,;29.93,-31.58,;31.27,-30.82,;32.6,-31.61,;33.94,-30.86,;35.27,-31.64,;36.61,-30.88,;38.08,-31.34,;38.97,-30.08,;40.51,-30.05,;41.26,-28.71,;42.8,-28.7,;43.55,-27.36,;42.77,-26.03,;41.22,-26.05,;40.47,-27.4,;38.04,-28.85,;38.72,-27.46,;37.9,-26.16,;38.61,-24.8,;37.8,-23.51,;36.26,-23.57,;35.55,-24.93,;36.37,-26.23,;35.44,-22.27,;36.16,-20.9,;33.9,-22.32,;34.66,-20.92,;36.59,-29.34,;35.33,-28.46,;29.95,-33.12,;28.49,-33.61,;27.57,-32.37,;26.03,-32.39,)|
Show InChI InChI=1S/C35H66N6/c1-5-6-7-8-13-23-40-31(25-38-33(40)36)17-12-14-22-39-27-32(24-28-15-10-9-11-16-28)41(34(39)37)26-29-18-20-30(21-19-29)35(2,3)4/h28-32,37H,5-27H2,1-4H3,(H2,36,38)/t29?,30?,31-,32+/m0/s1
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5.51E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446500
PNG
(CHEMBL3110043)
Show SMILES CC(C)(C)C1CCC(CN2[C@H](Cc3ccccc3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wU:24.24,wD:10.10,t:27,(16.16,-3.43,;15.45,-4.79,;13.91,-4.85,;14.66,-3.45,;16.27,-6.09,;17.8,-6.04,;18.62,-7.33,;17.9,-8.69,;18.73,-9.98,;18.05,-11.38,;18.98,-12.6,;20.52,-12.58,;21.27,-11.24,;20.48,-9.92,;21.22,-8.58,;22.77,-8.55,;23.55,-9.87,;22.81,-11.22,;18.09,-13.87,;16.62,-13.41,;15.28,-14.17,;13.95,-13.38,;12.6,-14.14,;11.28,-13.35,;9.94,-14.11,;9.96,-15.65,;8.5,-16.14,;7.58,-14.9,;6.04,-14.91,;8.47,-13.65,;7.77,-12.28,;6.22,-12.21,;5.44,-10.88,;6.2,-9.54,;5.42,-8.22,;3.88,-8.23,;3.12,-9.56,;3.9,-10.89,;16.59,-11.87,;15.34,-10.98,;16.37,-8.76,;15.55,-7.45,)|
Show InChI InChI=1S/C35H53N7/c1-35(2,3)30-16-14-29(15-17-30)25-42-32(22-27-10-5-4-6-11-27)26-40(34(42)37)20-8-7-13-31-24-39-33(36)41(31)21-18-28-12-9-19-38-23-28/h4-6,9-12,19,23,29-32,37H,7-8,13-18,20-22,24-26H2,1-3H3,(H2,36,39)/t29?,30?,31-,32+/m0/s1
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5.65E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446504
PNG
(CHEMBL3110048)
Show SMILES CC(C)(C)C1CCC(CN2[C@H](CC3CCCCC3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wU:24.24,wD:10.10,t:27,(37.57,-37.53,;36.85,-38.89,;35.31,-38.95,;36.07,-37.55,;37.67,-40.19,;39.21,-40.13,;40.02,-41.43,;39.31,-42.78,;40.13,-44.08,;39.45,-45.47,;40.38,-46.7,;41.92,-46.67,;42.71,-47.99,;41.96,-49.34,;42.75,-50.65,;44.29,-50.64,;45.04,-49.29,;44.25,-47.96,;39.49,-47.96,;38.02,-47.51,;36.68,-48.26,;35.35,-47.48,;34.01,-48.24,;32.68,-47.45,;31.34,-48.2,;31.36,-49.74,;29.9,-50.24,;28.98,-49,;27.44,-49.01,;29.88,-47.74,;29.17,-46.38,;27.62,-46.31,;26.85,-44.98,;27.61,-43.64,;26.83,-42.31,;25.29,-42.33,;24.53,-43.66,;25.31,-44.99,;38,-45.97,;36.74,-45.08,;37.78,-42.86,;36.96,-41.55,)|
Show InChI InChI=1S/C35H59N7/c1-35(2,3)30-16-14-29(15-17-30)25-42-32(22-27-10-5-4-6-11-27)26-40(34(42)37)20-8-7-13-31-24-39-33(36)41(31)21-18-28-12-9-19-38-23-28/h9,12,19,23,27,29-32,37H,4-8,10-11,13-18,20-22,24-26H2,1-3H3,(H2,36,39)/t29?,30?,31-,32+/m0/s1
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5.97E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446493
PNG
(CHEMBL3110031)
Show SMILES CC(C)(C)C1CCC(CN2[C@H](Cc3ccccc3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccc(F)c3)C2=N)CC1 |r,wU:24.24,wD:10.10,t:27,(16.49,-4.75,;15.77,-6.11,;14.23,-6.17,;14.99,-4.77,;16.59,-7.42,;18.13,-7.36,;18.95,-8.65,;18.23,-10.01,;19.05,-11.3,;18.38,-12.7,;19.3,-13.92,;20.84,-13.9,;21.59,-12.56,;20.8,-11.24,;21.55,-9.9,;23.09,-9.87,;23.87,-11.19,;23.13,-12.54,;18.42,-15.19,;16.94,-14.73,;15.6,-15.49,;14.28,-14.71,;12.93,-15.46,;11.6,-14.67,;10.27,-15.43,;10.28,-16.97,;8.82,-17.46,;7.9,-16.22,;6.36,-16.24,;8.8,-14.97,;8.09,-13.6,;6.55,-13.53,;5.77,-12.2,;4.23,-12.21,;3.45,-10.88,;4.21,-9.55,;5.75,-9.54,;6.51,-8.2,;6.53,-10.86,;16.92,-13.19,;15.66,-12.31,;16.7,-10.08,;15.88,-8.78,)|
Show InChI InChI=1S/C36H53FN6/c1-36(2,3)30-17-15-29(16-18-30)25-43-33(23-27-10-5-4-6-11-27)26-41(35(43)39)20-8-7-14-32-24-40-34(38)42(32)21-19-28-12-9-13-31(37)22-28/h4-6,9-13,22,29-30,32-33,39H,7-8,14-21,23-26H2,1-3H3,(H2,38,40)/t29?,30?,32-,33+/m0/s1
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6.18E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446506
PNG
(CHEMBL3110046)
Show SMILES CC(C)(C)C1CCC(CN2[C@H](Cc3ccccc3)CN(CCCC[C@@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wD:24.24,10.10,t:27,(35.76,-20.38,;35.05,-21.75,;33.51,-21.81,;34.26,-20.4,;35.87,-23.05,;37.4,-22.99,;38.22,-24.28,;37.5,-25.64,;38.33,-26.94,;37.65,-28.33,;38.57,-29.56,;40.11,-29.53,;40.91,-30.85,;40.15,-32.19,;40.95,-33.51,;42.49,-33.49,;43.23,-32.13,;42.44,-30.82,;37.69,-30.82,;36.22,-30.36,;34.88,-31.12,;33.55,-30.34,;32.2,-31.09,;30.88,-30.31,;29.54,-31.06,;29.56,-32.6,;28.1,-33.1,;27.18,-31.85,;25.64,-31.87,;28.07,-30.6,;27.37,-29.23,;25.82,-29.16,;25.04,-27.83,;25.8,-26.49,;25.02,-25.17,;23.48,-25.18,;22.72,-26.52,;23.51,-27.85,;36.19,-28.82,;34.94,-27.94,;35.97,-25.71,;35.15,-24.41,)|
Show InChI InChI=1S/C35H53N7/c1-35(2,3)30-16-14-29(15-17-30)25-42-32(22-27-10-5-4-6-11-27)26-40(34(42)37)20-8-7-13-31-24-39-33(36)41(31)21-18-28-12-9-19-38-23-28/h4-6,9-12,19,23,29-32,37H,7-8,13-18,20-22,24-26H2,1-3H3,(H2,36,39)/t29?,30?,31-,32-/m1/s1
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6.33E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446489
PNG
(CHEMBL3110035)
Show SMILES CC(C)CCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CC3CCC(CC3)C(C)(C)C)C2=N)CN=C1N |r,wU:7.7,wD:14.14,c:40,(7.5,-42.6,;5.96,-42.52,;5.25,-41.16,;5.13,-43.82,;5.83,-45.19,;5,-46.49,;5.71,-47.85,;7.18,-48.31,;8.52,-47.56,;9.84,-48.34,;11.19,-47.59,;12.51,-48.37,;13.85,-47.61,;15.33,-48.07,;16.21,-46.81,;17.75,-46.79,;18.5,-45.44,;20.04,-45.43,;20.79,-44.09,;20.01,-42.77,;18.47,-42.78,;17.71,-44.13,;15.29,-45.58,;15.96,-44.19,;15.14,-42.89,;15.86,-41.53,;15.04,-40.24,;13.5,-40.3,;12.79,-41.66,;13.61,-42.97,;12.68,-39,;13.4,-37.63,;11.14,-39.06,;11.9,-37.65,;13.83,-46.08,;12.57,-45.19,;7.19,-49.85,;5.73,-50.35,;4.82,-49.1,;3.28,-49.12,)|
Show InChI InChI=1S/C34H58N6/c1-26(2)12-11-21-39-30(23-37-32(39)35)15-9-10-20-38-25-31(22-27-13-7-6-8-14-27)40(33(38)36)24-28-16-18-29(19-17-28)34(3,4)5/h6-8,13-14,26,28-31,36H,9-12,15-25H2,1-5H3,(H2,35,37)/t28?,29?,30-,31+/m0/s1
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6.84E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446496
PNG
(CHEMBL3110028)
Show SMILES NC1=NC[C@H](CCCCN2C[C@H](Cc3ccc4ccccc4c3)N(CCc3cccc(Br)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C37H41BrCl2N6/c38-31-9-5-6-26(21-31)16-19-46-33(22-28-11-13-29-7-1-2-8-30(29)20-28)25-44(37(46)42)17-4-3-10-32-24-43-36(41)45(32)18-15-27-12-14-34(39)35(40)23-27/h1-2,5-9,11-14,20-21,23,32-33,42H,3-4,10,15-19,22,24-25H2,(H2,41,43)/t32-,33-/m0/s1
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7.60E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446503
PNG
(CHEMBL3110049)
Show SMILES CC(C)(C)C1CCC(CN2[C@@H](CC3CCCCC3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wU:24.24,10.10,t:27,(16.24,-4.97,;15.52,-6.33,;13.98,-6.39,;14.74,-4.99,;16.34,-7.64,;17.88,-7.58,;18.69,-8.87,;17.98,-10.23,;18.8,-11.53,;18.13,-12.92,;19.05,-14.15,;20.59,-14.12,;21.38,-15.44,;20.64,-16.78,;21.42,-18.1,;22.96,-18.08,;23.71,-16.74,;22.92,-15.41,;18.16,-15.41,;16.69,-14.95,;15.35,-15.71,;14.02,-14.93,;12.68,-15.69,;11.36,-14.9,;10.02,-15.66,;10.03,-17.2,;8.57,-17.69,;7.65,-16.44,;6.11,-16.46,;8.55,-15.19,;7.84,-13.82,;6.29,-13.75,;5.52,-12.42,;6.27,-11.09,;5.5,-9.76,;3.96,-9.77,;3.19,-11.11,;3.98,-12.43,;16.67,-13.41,;15.41,-12.53,;16.45,-10.3,;15.62,-9,)|
Show InChI InChI=1S/C35H59N7/c1-35(2,3)30-16-14-29(15-17-30)25-42-32(22-27-10-5-4-6-11-27)26-40(34(42)37)20-8-7-13-31-24-39-33(36)41(31)21-18-28-12-9-19-38-23-28/h9,12,19,23,27,29-32,37H,4-8,10-11,13-18,20-22,24-26H2,1-3H3,(H2,36,39)/t29?,30?,31-,32-/m0/s1
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7.81E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446488
PNG
(CHEMBL3110036)
Show SMILES CC(C)CCCN1[C@@H](CCCCN2C[C@@H](CC3CCCCC3)N(CC3CCC(CC3)C(C)(C)C)C2=N)CN=C1N |r,wU:7.7,wD:14.14,c:40,(29.06,-42.63,;27.52,-42.56,;26.81,-41.19,;26.69,-43.85,;27.4,-45.22,;26.56,-46.52,;27.27,-47.88,;28.74,-48.34,;30.08,-47.59,;31.4,-48.38,;32.75,-47.62,;34.08,-48.4,;35.41,-47.65,;36.89,-48.1,;37.77,-46.84,;39.31,-46.82,;40.06,-45.47,;41.6,-45.46,;42.35,-44.12,;41.57,-42.8,;40.03,-42.82,;39.27,-44.16,;36.85,-45.61,;37.52,-44.22,;36.7,-42.92,;37.42,-41.57,;36.6,-40.27,;35.06,-40.33,;34.35,-41.69,;35.17,-43,;34.24,-39.03,;34.96,-37.67,;32.7,-39.09,;33.46,-37.68,;35.39,-46.11,;34.13,-45.22,;28.75,-49.88,;27.29,-50.38,;26.38,-49.14,;24.84,-49.15,)|
Show InChI InChI=1S/C34H64N6/c1-26(2)12-11-21-39-30(23-37-32(39)35)15-9-10-20-38-25-31(22-27-13-7-6-8-14-27)40(33(38)36)24-28-16-18-29(19-17-28)34(3,4)5/h26-31,36H,6-25H2,1-5H3,(H2,35,37)/t28?,29?,30-,31+/m0/s1
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7.84E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446492
PNG
(CHEMBL3110032)
Show SMILES CC(C)(C)C1CCC(CN2[C@H](CC3CCCCC3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccc(F)c3)C2=N)CC1 |r,wU:24.24,wD:10.10,t:27,(40.12,-4.28,;39.4,-5.64,;37.86,-5.7,;38.62,-4.3,;40.22,-6.95,;41.76,-6.89,;42.57,-8.18,;41.86,-9.54,;42.68,-10.84,;42,-12.23,;42.93,-13.46,;44.47,-13.43,;45.22,-12.09,;46.76,-12.08,;47.51,-10.74,;46.73,-9.41,;45.18,-9.43,;44.42,-10.78,;42.04,-14.72,;40.57,-14.26,;39.23,-15.02,;37.9,-14.24,;36.56,-14.99,;35.23,-14.2,;33.89,-14.96,;33.91,-16.5,;32.45,-16.99,;31.53,-15.75,;29.99,-15.77,;32.43,-14.5,;31.72,-13.13,;30.17,-13.06,;29.4,-11.73,;27.86,-11.74,;27.08,-10.42,;27.84,-9.08,;29.38,-9.07,;30.14,-7.73,;30.16,-10.39,;40.55,-12.72,;39.29,-11.84,;40.33,-9.61,;39.51,-8.31,)|
Show InChI InChI=1S/C36H59FN6/c1-36(2,3)30-17-15-29(16-18-30)25-43-33(23-27-10-5-4-6-11-27)26-41(35(43)39)20-8-7-14-32-24-40-34(38)42(32)21-19-28-12-9-13-31(37)22-28/h9,12-13,22,27,29-30,32-33,39H,4-8,10-11,14-21,23-26H2,1-3H3,(H2,38,40)/t29?,30?,32-,33+/m0/s1
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8.89E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446494
PNG
(CHEMBL3110030)
Show SMILES NC1=NC[C@H](CCCCN2C[C@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C37H40Cl4N6/c38-32-12-9-25(21-34(32)40)14-17-46-30(23-44-36(46)42)7-3-4-16-45-24-31(20-27-8-11-28-5-1-2-6-29(28)19-27)47(37(45)43)18-15-26-10-13-33(39)35(41)22-26/h1-2,5-6,8-13,19,21-22,30-31,43H,3-4,7,14-18,20,23-24H2,(H2,42,44)/t30-,31-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446497
PNG
(CHEMBL3110027)
Show SMILES NC1=NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C37H40Cl4N6/c38-32-12-9-25(21-34(32)40)14-17-46-30(23-44-36(46)42)7-3-4-16-45-24-31(20-27-8-11-28-5-1-2-6-29(28)19-27)47(37(45)43)18-15-26-10-13-33(39)35(41)22-26/h1-2,5-6,8-13,19,21-22,30-31,43H,3-4,7,14-18,20,23-24H2,(H2,42,44)/t30-,31+/m0/s1
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3.47E+5n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%