Compile Data Set for Download or QSAR
Found 26 Enz. Inhib. hit(s) with all data for entry = 50042577
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

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:  37nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

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:  517nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50382474(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
Affinity DataKi:  670nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428086(CHEMBL2323572 | US9303017, (S)-21, YL-1-235)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl
Show InChI InChI=1S/C16H21ClN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
Affinity DataKi:  6.70E+4nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428085(CHEMBL2323566 | US9303017, (S)-15, YL-1-127)
Show SMILES CCCCC#Cc1cnc(C)c(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3/t15-/m0/s1
Affinity DataKi:  9.30E+4nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428084(CHEMBL2323567 | US9303017, (R)-16, YL-1-117)
Show SMILES CCCCC#Cc1cnc(C)c(OC[C@H]2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3/t16-/m1/s1
Affinity DataKi:  1.10E+5nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Show SMILES CCCCC#Cc1cnc(C)c(OC[C@@H]2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3/t16-/m0/s1
Affinity DataKi:  1.30E+5nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428080(CHEMBL2323571 | US9303017, (S)-22, YL-1-231)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCF
Show InChI InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
Affinity DataKi:  1.50E+5nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CC1CC1
Show InChI InChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3/t14-/m0/s1
Affinity DataKi:  1.50E+5nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428082(CHEMBL2323565 | US9303017, (R)-15, YL-1-171)
Show SMILES CCCCC#Cc1cnc(C)c(OC[C@H]2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3/t15-/m1/s1
Affinity DataKi:  1.60E+5nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428081(CHEMBL2323570 | US9303017, (S)-17)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
Affinity DataKi:  1.70E+5nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50382474(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
Affinity DataIC50: 11nMAssay Description:Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428081(CHEMBL2323570 | US9303017, (S)-17)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
Affinity DataIC50: 51nMAssay Description:Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

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 DataIC50: 94nMAssay Description:Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CC1CC1
Show InChI InChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3/t14-/m0/s1
Affinity DataIC50: 110nMAssay Description:Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428080(CHEMBL2323571 | US9303017, (S)-22, YL-1-231)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCF
Show InChI InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
Affinity DataIC50: 130nMAssay Description:Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428086(CHEMBL2323572 | US9303017, (S)-21, YL-1-235)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl
Show InChI InChI=1S/C16H21ClN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
Affinity DataIC50: 260nMAssay Description:Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428085(CHEMBL2323566 | US9303017, (S)-15, YL-1-127)
Show SMILES CCCCC#Cc1cnc(C)c(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3/t15-/m0/s1
Affinity DataIC50: 260nMAssay Description:Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

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 DataIC50: 370nMAssay Description:Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Show SMILES CCCCC#Cc1cnc(C)c(OC[C@@H]2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3/t16-/m0/s1
Affinity DataIC50: 1.60E+3nMAssay Description:Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428085(CHEMBL2323566 | US9303017, (S)-15, YL-1-127)
Show SMILES CCCCC#Cc1cnc(C)c(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3/t15-/m0/s1
Affinity DataEC50:  310nMAssay Description:Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation cou...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428081(CHEMBL2323570 | US9303017, (S)-17)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
Affinity DataEC50:  450nMAssay Description:Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation cou...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50382474(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
Affinity DataEC50:  24nMAssay Description:Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation cou...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

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 DataEC50:  950nMAssay Description:Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation cou...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

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 DataEC50:  2.40E+3nMAssay Description:Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation cou...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CC1CC1
Show InChI InChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3/t14-/m0/s1
Affinity DataEC50:  160nMAssay Description:Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation cou...More data for this Ligand-Target Pair