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5 similar compounds to monomer 50399792

Compile data set for download or QSAR
Wt: 372.4
BDBM50399793
Wt: 372.4
BDBM50399795
Wt: 356.8
BDBM50399796
Wt: 356.8
BDBM50399798
Wt: 322.4
BDBM50399801

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50399793,50399795,50399796,50399798,50399801   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399798
PNG
(CHEMBL2179856)
Show SMILES Clc1ccnc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C19H21ClN4O/c20-15-3-7-22-16(11-15)19(25)23-18-14-4-8-24(9-5-14)17(18)10-13-2-1-6-21-12-13/h1-3,6-7,11-12,14,17-18H,4-5,8-10H2,(H,23,25)/t17-,18+/m0/s1
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60n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399801
PNG
(CHEMBL2179853)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccn1
Show InChI InChI=1S/C19H22N4O/c24-19(16-5-1-2-9-21-16)22-18-15-6-10-23(11-7-15)17(18)12-14-4-3-8-20-13-14/h1-5,8-9,13,15,17-18H,6-7,10-12H2,(H,22,24)/t17-,18+/m0/s1
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94n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399795
PNG
(CHEMBL2179859)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N4O/c28-23(20-8-7-17-5-1-2-6-19(17)25-20)26-22-18-9-12-27(13-10-18)21(22)14-16-4-3-11-24-15-16/h1-8,11,15,18,21-22H,9-10,12-14H2,(H,26,28)/t21-,22+/m0/s1
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168n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399801
PNG
(CHEMBL2179853)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccn1
Show InChI InChI=1S/C19H22N4O/c24-19(16-5-1-2-9-21-16)22-18-15-6-10-23(11-7-15)17(18)12-14-4-3-8-20-13-14/h1-5,8-9,13,15,17-18H,6-7,10-12H2,(H,22,24)/t17-,18+/m0/s1
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200n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399796
PNG
(CHEMBL2179858)
Show SMILES Clc1cccc(n1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C19H21ClN4O/c20-17-5-1-4-15(22-17)19(25)23-18-14-6-9-24(10-7-14)16(18)11-13-3-2-8-21-12-13/h1-5,8,12,14,16,18H,6-7,9-11H2,(H,23,25)/t16-,18+/m0/s1
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219n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399798
PNG
(CHEMBL2179856)
Show SMILES Clc1ccnc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C19H21ClN4O/c20-15-3-7-22-16(11-15)19(25)23-18-14-4-8-24(9-5-14)17(18)10-13-2-1-6-21-12-13/h1-3,6-7,11-12,14,17-18H,4-5,8-10H2,(H,23,25)/t17-,18+/m0/s1
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400n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399796
PNG
(CHEMBL2179858)
Show SMILES Clc1cccc(n1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C19H21ClN4O/c20-17-5-1-4-15(22-17)19(25)23-18-14-6-9-24(10-7-14)16(18)11-13-3-2-8-21-12-13/h1-5,8,12,14,16,18H,6-7,9-11H2,(H,23,25)/t16-,18+/m0/s1
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500n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399795
PNG
(CHEMBL2179859)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N4O/c28-23(20-8-7-17-5-1-2-6-19(17)25-20)26-22-18-9-12-27(13-10-18)21(22)14-16-4-3-11-24-15-16/h1-8,11,15,18,21-22H,9-10,12-14H2,(H,26,28)/t21-,22+/m0/s1
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600n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399793
PNG
(CHEMBL2179861)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1nccc2ccccc12
Show InChI InChI=1S/C23H24N4O/c28-23(22-19-6-2-1-5-17(19)7-11-25-22)26-21-18-8-12-27(13-9-18)20(21)14-16-4-3-10-24-15-16/h1-7,10-11,15,18,20-21H,8-9,12-14H2,(H,26,28)/t20-,21+/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399793
PNG
(CHEMBL2179861)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1nccc2ccccc12
Show InChI InChI=1S/C23H24N4O/c28-23(22-19-6-2-1-5-17(19)7-11-25-22)26-21-18-8-12-27(13-9-18)20(21)14-16-4-3-10-24-15-16/h1-7,10-11,15,18,20-21H,8-9,12-14H2,(H,26,28)/t20-,21+/m0/s1
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2.03E+3n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399801
PNG
(CHEMBL2179853)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccn1
Show InChI InChI=1S/C19H22N4O/c24-19(16-5-1-2-9-21-16)22-18-15-6-10-23(11-7-15)17(18)12-14-4-3-8-20-13-14/h1-5,8-9,13,15,17-18H,6-7,10-12H2,(H,22,24)/t17-,18+/m0/s1
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n/an/an/an/a 650n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399798
PNG
(CHEMBL2179856)
Show SMILES Clc1ccnc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C19H21ClN4O/c20-15-3-7-22-16(11-15)19(25)23-18-14-4-8-24(9-5-14)17(18)10-13-2-1-6-21-12-13/h1-3,6-7,11-12,14,17-18H,4-5,8-10H2,(H,23,25)/t17-,18+/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399795
PNG
(CHEMBL2179859)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N4O/c28-23(20-8-7-17-5-1-2-6-19(17)25-20)26-22-18-9-12-27(13-10-18)21(22)14-16-4-3-11-24-15-16/h1-8,11,15,18,21-22H,9-10,12-14H2,(H,26,28)/t21-,22+/m0/s1
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n/an/an/an/a 230n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399796
PNG
(CHEMBL2179858)
Show SMILES Clc1cccc(n1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C19H21ClN4O/c20-17-5-1-4-15(22-17)19(25)23-18-14-6-9-24(10-7-14)16(18)11-13-3-2-8-21-12-13/h1-5,8,12,14,16,18H,6-7,9-11H2,(H,23,25)/t16-,18+/m0/s1
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n/an/an/an/a 4.10E+3n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair