Compile Data Set for Download or QSAR
Found 3398 with Last Name = 'coe' and Initial = 'jw'
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174152(4,5-Dichloro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2...)
Show SMILES Clc1cc2C3CC(CNC3)c2cc1Cl
Show InChI InChI=1S/C11H11Cl2N/c12-10-2-8-6-1-7(5-14-4-6)9(8)3-11(10)13/h2-3,6-7,14H,1,4-5H2
Affinity DataKi:  0.100nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174139(6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2[nH]1
Show InChI InChI=1S/C13H15N3/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3,(H,15,16)
Affinity DataKi:  0.100nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50166908(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
Affinity DataKi:  0.110nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174145(6-methyl-7-thia-5,13-diazatetracyclo[9.3.1.02,10.0...)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2s1
Show InChI InChI=1S/C13H14N2S/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3
Affinity DataKi:  0.120nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174148(5-methyl-7-oxa-6,13-diazatetracyclo[9.3.1.02,10.04...)
Show SMILES Cc1noc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C13H14N2O/c1-7-10-3-11-8-2-9(6-14-5-8)12(11)4-13(10)16-15-7/h3-4,8-9,14H,2,5-6H2,1H3
Affinity DataKi:  0.130nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174154(7-phenyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...)
Show SMILES C1C2CNCC1c1cc3n(cnc3cc21)-c1ccccc1
Show InChI InChI=1S/C18H17N3/c1-2-4-14(5-3-1)21-11-20-17-7-15-12-6-13(10-19-9-12)16(15)8-18(17)21/h1-5,7-8,11-13,19H,6,9-10H2
Affinity DataKi:  0.140nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174156(5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca...)
Show SMILES C1C2CNCC1c1cc3[nH]cnc3cc21
Show InChI InChI=1S/C12H13N3/c1-7-4-13-5-8(1)10-3-12-11(2-9(7)10)14-6-15-12/h2-3,6-8,13H,1,4-5H2,(H,14,15)
Affinity DataKi:  0.150nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174190(6-methyl-7-oxa-5,13-diazatetracyclo[9.3.1.02,10.04...)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2o1
Show InChI InChI=1S/C13H14N2O/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3
Affinity DataKi:  0.150nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174170(7-oxa-5,13-diazatetracyclo[9.3.1.02,10.04,8]pentad...)
Show SMILES C1C2CNCC1c1cc3ocnc3cc21
Show InChI InChI=1S/C12H12N2O/c1-7-4-13-5-8(1)10-3-12-11(2-9(7)10)14-6-15-12/h2-3,6-8,13H,1,4-5H2
Affinity DataKi:  0.160nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174141(1-(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-tr...)
Show SMILES CC(=O)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C13H15NO/c1-8(15)9-2-3-12-10-4-11(7-14-6-10)13(12)5-9/h2-3,5,10-11,14H,4,6-7H2,1H3
Affinity DataKi:  0.170nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174163(6-methyl-7-propyl-5,7,13-triazatetracyclo[9.3.1.02...)
Show SMILES CCCn1c(C)nc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C16H21N3/c1-3-4-19-10(2)18-15-6-13-11-5-12(9-17-8-11)14(13)7-16(15)19/h6-7,11-12,17H,3-5,8-9H2,1-2H3
Affinity DataKi:  0.190nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174144(4-Chloro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...)
Show SMILES Clc1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C11H12ClN/c12-9-1-2-10-7-3-8(6-13-5-7)11(10)4-9/h1-2,4,7-8,13H,3,5-6H2
Affinity DataKi:  0.200nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174147(7-butyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]p...)
Show SMILES CCCCn1cnc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C16H21N3/c1-2-3-4-19-10-18-15-6-13-11-5-12(9-17-8-11)14(13)7-16(15)19/h6-7,10-12,17H,2-5,8-9H2,1H3
Affinity DataKi:  0.200nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50143282((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
Affinity DataKi:  0.230nMAssay Description:Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligandMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50143282((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
Affinity DataKi:  0.230nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174142(7-isobutyl-6-methyl-5,7,13-triazatetracyclo[9.3.1....)
Show SMILES CC(C)Cn1c(C)nc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C17H23N3/c1-10(2)9-20-11(3)19-16-5-14-12-4-13(8-18-7-12)15(14)6-17(16)20/h5-6,10,12-13,18H,4,7-9H2,1-3H3
Affinity DataKi:  0.280nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174158(4,5-Difluoro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2...)
Show SMILES Fc1cc2C3CC(CNC3)c2cc1F
Show InChI InChI=1S/C11H11F2N/c12-10-2-8-6-1-7(5-14-4-6)9(8)3-11(10)13/h2-3,6-7,14H,1,4-5H2
Affinity DataKi:  0.280nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50166908(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
Affinity DataKi:  0.295nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174176(7-isobutyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,...)
Show SMILES CC(C)Cn1cnc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C16H21N3/c1-10(2)8-19-9-18-15-4-13-11-3-12(7-17-6-11)14(13)5-16(15)19/h4-5,9-12,17H,3,6-8H2,1-2H3
Affinity DataKi:  0.300nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174180(6,7-dimethyl-5,7,13-triazatetracyclo[9.3.1.02,10.0...)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2n1C
Show InChI InChI=1S/C14H17N3/c1-8-16-13-4-11-9-3-10(7-15-6-9)12(11)5-14(13)17(8)2/h4-5,9-10,15H,3,6-7H2,1-2H3
Affinity DataKi:  0.310nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174183(4-Trifluoromethyl-10-aza-tricyclo[6.3.1.0*2,7*]dod...)
Show SMILES FC(F)(F)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2
Affinity DataKi:  0.330nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174177(7-propyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...)
Show SMILES CCCn1cnc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C15H19N3/c1-2-3-18-9-17-14-5-12-10-4-11(8-16-7-10)13(12)6-15(14)18/h5-6,9-11,16H,2-4,7-8H2,1H3
Affinity DataKi:  0.360nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50167457(5,6-Difluoro-11-aza-tricyclo[7.3.1.0*2,7*]trideca-...)
Show SMILES Fc1ccc2C3CNCC(C3)Cc2c1F
Show InChI InChI=1S/C12H13F2N/c13-11-2-1-9-8-3-7(5-15-6-8)4-10(9)12(11)14/h1-2,7-8,15H,3-6H2
Affinity DataKi:  0.440nMAssay Description:Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligandMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174143(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...)
Show SMILES N#Cc1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C12H12N2/c13-5-8-1-2-11-9-4-10(7-14-6-9)12(11)3-8/h1-3,9-10,14H,4,6-7H2
Affinity DataKi:  0.5nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174174(6,7-dimethyl-5,8,14-triazatetracyclo[10.3.1.02,11....)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2nc1C
Show InChI InChI=1S/C15H17N3/c1-8-9(2)18-15-5-13-11-3-10(6-16-7-11)12(13)4-14(15)17-8/h4-5,10-11,16H,3,6-7H2,1-2H3
Affinity DataKi:  0.550nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174155(6-methyl-7-neopentyl-5,7,13-triazatetracyclo[9.3.1...)
Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2n1CC(C)(C)C
Show InChI InChI=1S/C18H25N3/c1-11-20-16-6-14-12-5-13(9-19-8-12)15(14)7-17(16)21(11)10-18(2,3)4/h6-7,12-13,19H,5,8-10H2,1-4H3
Affinity DataKi:  0.75nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174164(7-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...)
Show SMILES Cn1cnc2cc3C4CC(CNC4)c3cc12
Show InChI InChI=1S/C13H15N3/c1-16-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16/h3-4,7-9,14H,2,5-6H2,1H3
Affinity DataKi:  0.75nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309873(4-(6-Chlorooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
Affinity DataKi:  1nMAssay Description:Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174173(4-Fluoro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...)
Show SMILES Fc1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C11H12FN/c12-9-1-2-10-7-3-8(6-13-5-7)11(10)4-9/h1-2,4,7-8,13H,3,5-6H2
Affinity DataKi:  1.10nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Mus musculus (house mouse))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309864(4-(5-Chlorobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Clc1ccc2oc(nc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C14H16ClN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50167469(5-Methoxy-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4...)
Show SMILES COc1ccc2C3CNCC(C3)Cc2c1
Show InChI InChI=1S/C13H17NO/c1-15-12-2-3-13-10(6-12)4-9-5-11(13)8-14-7-9/h2-3,6,9,11,14H,4-5,7-8H2,1H3
Affinity DataKi:  1.40nMAssay Description:Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligandMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataKi:  1.60nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174193(4-Methyl-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...)
Show SMILES Cc1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C12H15N/c1-8-2-3-11-9-5-10(7-13-6-9)12(11)4-8/h2-4,9-10,13H,5-7H2,1H3
Affinity DataKi:  1.60nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataKi:  1.60nMAssay Description:Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligandMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174178(6-isopropyl-7-oxa-5,13-diazatetracyclo[9.3.1.02,10...)
Show SMILES CC(C)c1nc2cc3C4CC(CNC4)c3cc2o1
Show InChI InChI=1S/C15H18N2O/c1-8(2)15-17-13-4-11-9-3-10(7-16-6-9)12(11)5-14(13)18-15/h4-5,8-10,16H,3,6-7H2,1-2H3
Affinity DataKi:  1.90nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309897(2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-5-(pyrrolidi...)
Show SMILES C1CCN(C1)c1ccc2oc(nc2n1)N1CCN2CCC1CC2
Show InChI InChI=1S/C17H23N5O/c1-2-8-21(7-1)15-4-3-14-16(18-15)19-17(23-14)22-12-11-20-9-5-13(22)6-10-20/h3-4,13H,1-2,5-12H2
Affinity DataKi:  1.91nMAssay Description:Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309864(4-(5-Chlorobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Clc1ccc2oc(nc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C14H16ClN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
Affinity DataKi:  1.92nMAssay Description:Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174188(4-(Aziridine-1-sulfonyl)-10-aza-tricyclo[6.3.1.0*2...)
Show SMILES O=S(=O)(N1CC1)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C13H16N2O2S/c16-18(17,15-3-4-15)11-1-2-12-9-5-10(8-14-7-9)13(12)6-11/h1-2,6,9-10,14H,3-5,7-8H2
Affinity DataKi:  2nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50167462(5-Fluoro-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,...)
Show SMILES Fc1ccc2C3CNCC(C3)Cc2c1
Show InChI InChI=1S/C12H14FN/c13-11-1-2-12-9(5-11)3-8-4-10(12)7-14-6-8/h1-2,5,8,10,14H,3-4,6-7H2
Affinity DataKi:  2nMAssay Description:Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligandMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309872(4-(6-Bromooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabic...)
Show SMILES Brc1cnc2nc(oc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C13H15BrN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
Affinity DataKi:  2.08nMAssay Description:Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309865(4-(5-Bromobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2]...)
Show SMILES Brc1ccc2oc(nc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C14H16BrN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
Affinity DataKi:  2.15nMAssay Description:Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309880(4-(6-Phenyloxazolo[5,4-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES C1CN2CCC1N(CC2)c1nc2cc(cnc2o1)-c1ccccc1
Show InChI InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)15-12-17-18(20-13-15)24-19(21-17)23-11-10-22-8-6-16(23)7-9-22/h1-5,12-13,16H,6-11H2
Affinity DataKi:  2.31nMAssay Description:Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309879(2-(6-Chlorooxazolo[5,4-b]pyridin-2-yl)-2,5-diazabi...)
Show SMILES Clc1cnc2oc(nc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)19-13(16-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
Affinity DataKi:  2.59nMAssay Description:Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174172(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...)
Show SMILES Oc1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C11H13NO/c13-9-1-2-10-7-3-8(6-12-5-7)11(10)4-9/h1-2,4,7-8,12-13H,3,5-6H2
Affinity DataKi:  2.80nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50167481(11-Aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-6...)
Show SMILES Oc1cccc2C3CNCC(C3)Cc12
Show InChI InChI=1S/C12H15NO/c14-12-3-1-2-10-9-4-8(5-11(10)12)6-13-7-9/h1-3,8-9,13-14H,4-7H2
Affinity DataKi:  2.90nMAssay Description:Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligandMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50174187(4-(Pyrrolidine-1-sulfonyl)-10-aza-tricyclo[6.3.1.0...)
Show SMILES O=S(=O)(N1CCCC1)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C15H20N2O2S/c18-20(19,17-5-1-2-6-17)13-3-4-14-11-7-12(10-16-9-11)15(14)8-13/h3-4,8,11-12,16H,1-2,5-7,9-10H2
Affinity DataKi:  3.10nMAssay Description:Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotineMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309888(4-(6-Chloro-5-methyloxazolo[4,5-b]pyridin-2-yl)-1,...)
Show SMILES Cc1nc2nc(oc2cc1Cl)N1CCN2CCC1CC2
Show InChI InChI=1S/C14H17ClN4O/c1-9-11(15)8-12-13(16-9)17-14(20-12)19-7-6-18-4-2-10(19)3-5-18/h8,10H,2-7H2,1H3
Affinity DataKi:  3.19nMAssay Description:Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309892(2-(5-Phenyloxazolo[4,5-b]pyridin-2-yl)-2,5-diazabi...)
Show SMILES C1CN2CCC1N(CC2)c1nc2nc(ccc2o1)-c1ccccc1
Show InChI InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)16-6-7-17-18(20-16)21-19(24-17)23-13-12-22-10-8-15(23)9-11-22/h1-7,15H,8-13H2
Affinity DataKi:  3.22nMAssay Description:Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Mus musculus (house mouse))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309866(4-(5-Methylbenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Cc1ccc2oc(nc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C15H19N3O/c1-11-2-3-14-13(10-11)16-15(19-14)18-9-8-17-6-4-12(18)5-7-17/h2-3,10,12H,4-9H2,1H3
Affinity DataKi:  3.40nMAssay Description:Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50309893(2-(5-(2-Fluorophenyl)oxazolo[4,5-b]pyridin-2-yl)-2...)
Show SMILES Fc1ccccc1-c1ccc2oc(nc2n1)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H19FN4O/c20-15-4-2-1-3-14(15)16-5-6-17-18(21-16)22-19(25-17)24-12-11-23-9-7-13(24)8-10-23/h1-6,13H,7-12H2
Affinity DataKi:  3.45nMAssay Description:Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cellsMore data for this Ligand-Target Pair
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