Compile Data Set for Download or QSAR
Found 136 Enz. Inhib. hit(s) with all data for entry = 50031150
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302927(2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3
Affinity DataIC50: 7.70nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302929(2-(N-tert-Butylamino)-3'-chlorobutyrophenone | 2-(...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3
Affinity DataIC50: 8.60nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302917(2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
Affinity DataIC50: 9.20nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302924(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3
Affinity DataIC50: 9.80nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302914(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3
Affinity DataIC50: 10nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
Affinity DataIC50: 12nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302930(1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
Affinity DataIC50: 15nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302941(2-(N-tert-Butylamino)-4'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H21NO/c1-10-6-8-12(9-7-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
Affinity DataIC50: 17nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302942(2-(N-tert-Butylamino)-3'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(C)c1
Show InChI InChI=1S/C14H21NO/c1-10-7-6-8-12(9-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
Affinity DataIC50: 19nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302938(2-(tert-Butylamino)-3',5'-dichloropropiophenone | ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3
Affinity DataIC50: 19nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302925(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
Affinity DataIC50: 21nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302910(1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
Affinity DataIC50: 23nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308114(2-(N-Cyclopentylamino)-3'-methylpropiophenone | CH...)
Show SMILES CC(NC1CCCC1)C(=O)c1cccc(C)c1
Show InChI InChI=1S/C15H21NO/c1-11-6-5-7-13(10-11)15(17)12(2)16-14-8-3-4-9-14/h5-7,10,12,14,16H,3-4,8-9H2,1-2H3
Affinity DataIC50: 25nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302918(2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
Affinity DataIC50: 29nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302928(1-(3-chlorophenyl)-2-(piperidin-1-yl)propan-1-one ...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
Affinity DataIC50: 30nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308121(2-(N-Cyclopentylamino)-3'-methoxypropiophenone | C...)
Show SMILES COc1cccc(c1)C(=O)C(C)NC1CCCC1
Show InChI InChI=1S/C15H21NO2/c1-11(16-13-7-3-4-8-13)15(17)12-6-5-9-14(10-12)18-2/h5-6,9-11,13,16H,3-4,7-8H2,1-2H3
Affinity DataIC50: 31nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302924(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3
Affinity DataIC50: 31nMAssay Description:Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302936(2-(N-tert-Butylamino)-1-(2'-thienyl)-1-propanone |...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccs1
Show InChI InChI=1S/C11H17NOS/c1-8(12-11(2,3)4)10(13)9-6-5-7-14-9/h5-8,12H,1-4H3
Affinity DataIC50: 32nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302922(1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
Affinity DataIC50: 32nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302911(2-(N-tert-Butylamino)-4'-chloropropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
Affinity DataIC50: 33nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302935(3-(tert-butylamino)-1-(3-chlorophenyl)-2-methylpro...)
Show SMILES CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-10(9-16-14(2,3)4)13(17)11-6-5-7-12(15)8-11/h5-8,10,16H,9H2,1-4H3
Affinity DataIC50: 35nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308123(2-(N-tert-Butylamino)-3'-nitropropiophenone | CHEM...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O3/c1-9(14-13(2,3)4)12(16)10-6-5-7-11(8-10)15(17)18/h5-9,14H,1-4H3
Affinity DataIC50: 36nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308122(2-(tert-butylamino)-1-(3-methoxyphenyl)propan-1-on...)
Show SMILES COc1cccc(c1)C(=O)C(C)NC(C)(C)C
Show InChI InChI=1S/C14H21NO2/c1-10(15-14(2,3)4)13(16)11-7-6-8-12(9-11)17-5/h6-10,15H,1-5H3
Affinity DataIC50: 37nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308113(2-(N-Cyclopentylamino)-3'-bromopropiophenone | CHE...)
Show SMILES CC(NC1CCCC1)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H18BrNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
Affinity DataIC50: 42nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302940(2-(tert-butylamino)-1-(3,4-difluorophenyl)propan-1...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H17F2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
Affinity DataIC50: 45nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302927(2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3
Affinity DataIC50: 56nMAssay Description:Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308118(2-(N-Pyrrolidinyl)-3'-methylpropiophenone | CHEMBL...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(C)c1
Show InChI InChI=1S/C15H21NO/c1-12-7-6-8-14(11-12)15(17)13(2)16-9-4-3-5-10-16/h6-8,11,13H,3-5,9-10H2,1-2H3
Affinity DataIC50: 56nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308119(2-(N-Pyrrolidinyl)-3'-methoxypropiophenone | CHEMB...)
Show SMILES COc1cccc(c1)C(=O)C(C)N1CCCCC1
Show InChI InChI=1S/C15H21NO2/c1-12(16-9-4-3-5-10-16)15(17)13-7-6-8-14(11-13)18-2/h6-8,11-12H,3-5,9-10H2,1-2H3
Affinity DataIC50: 57nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308116(2-(N-Pyrrolidinyl)-3'-fluoropropiophenone | CHEMBL...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C14H18FNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
Affinity DataIC50: 71nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308117(2-(N-Pyrrolidinyl)-3'-bromopropiophenone | CHEMBL5...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H18BrNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
Affinity DataIC50: 74nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308112(2-(N-Cyclopentylamino)-3'-fluoropropiophenone | CH...)
Show SMILES CC(NC1CCCC1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C14H18FNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
Affinity DataIC50: 81nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302916(1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-on...)
Show SMILES CC(NC1CCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308115(2-(N-Cyclopentylamino)-3'-nitropropiophenone | CHE...)
Show SMILES CC(NC1CCCC1)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H18N2O3/c1-10(15-12-6-2-3-7-12)14(17)11-5-4-8-13(9-11)16(18)19/h4-5,8-10,12,15H,2-3,6-7H2,1H3
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302941(2-(N-tert-Butylamino)-4'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H21NO/c1-10-6-8-12(9-7-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308123(2-(N-tert-Butylamino)-3'-nitropropiophenone | CHEM...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O3/c1-9(14-13(2,3)4)12(16)10-6-5-7-11(8-10)15(17)18/h5-9,14H,1-4H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308123(2-(N-tert-Butylamino)-3'-nitropropiophenone | CHEM...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O3/c1-9(14-13(2,3)4)12(16)10-6-5-7-11(8-10)15(17)18/h5-9,14H,1-4H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308123(2-(N-tert-Butylamino)-3'-nitropropiophenone | CHEM...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O3/c1-9(14-13(2,3)4)12(16)10-6-5-7-11(8-10)15(17)18/h5-9,14H,1-4H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308122(2-(tert-butylamino)-1-(3-methoxyphenyl)propan-1-on...)
Show SMILES COc1cccc(c1)C(=O)C(C)NC(C)(C)C
Show InChI InChI=1S/C14H21NO2/c1-10(15-14(2,3)4)13(16)11-7-6-8-12(9-11)17-5/h6-10,15H,1-5H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308122(2-(tert-butylamino)-1-(3-methoxyphenyl)propan-1-on...)
Show SMILES COc1cccc(c1)C(=O)C(C)NC(C)(C)C
Show InChI InChI=1S/C14H21NO2/c1-10(15-14(2,3)4)13(16)11-7-6-8-12(9-11)17-5/h6-10,15H,1-5H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302942(2-(N-tert-Butylamino)-3'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(C)c1
Show InChI InChI=1S/C14H21NO/c1-10-7-6-8-12(9-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302930(1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302925(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302935(3-(tert-butylamino)-1-(3-chlorophenyl)-2-methylpro...)
Show SMILES CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-10(9-16-14(2,3)4)13(17)11-6-5-7-12(15)8-11/h5-8,10,16H,9H2,1-4H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302919(2-(N-Methyl-N-tert-butylamino)-3'-chloropropiophen...)
Show SMILES CC(N(C)C(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-10(16(5)14(2,3)4)13(17)11-7-6-8-12(15)9-11/h6-10H,1-5H3
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302908(1-(3-chlorophenyl)-2-(dimethylamino)propan-1-one |...)
Show SMILES CC(N(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-5-4-6-10(12)7-9/h4-8H,1-3H3
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50308120(2-(N-Pyrrolidinyl)-3'-nitropropiophenone | CHEMBL5...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H18N2O3/c1-11(15-8-3-2-4-9-15)14(17)12-6-5-7-13(10-12)16(18)19/h5-7,10-11H,2-4,8-9H2,1H3
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302940(2-(tert-butylamino)-1-(3,4-difluorophenyl)propan-1...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H17F2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302917(2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50302922(1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
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