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Found 16 hits Enz. Inhib. hit(s) with Target = 'nAChR alpha4 beta2 subtype'   
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
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM50143320
PNG
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1
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US Patent
0.0180 -61.3n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221044
PNG
(US9284322, Table 6, Compound 10)
Show SMILES COc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H18FN3O/c1-22-16-7-10(4-5-19-16)14-6-11(9-20-17(14)18)13-8-12-2-3-15(13)21-12/h4-7,9,12-13,15,21H,2-3,8H2,1H3
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0.0400 -59.3n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221036
PNG
(US9284322, Table 6, Compound 2)
Show SMILES Fc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C16H15F2N3/c17-15-4-1-9(7-19-15)13-5-10(8-20-16(13)18)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2
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0.0490 -58.8n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221037
PNG
(US9284322, Table 6, Compound 3)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)nc1)C1CC2CCC1N2
Show InChI InChI=1S/C16H15ClFN3/c17-15-4-1-9(7-19-15)13-5-10(8-20-16(13)18)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2
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US Patent
0.0630 -58.2n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221041
PNG
(US9284322, Table 6, Compound 7)
Show SMILES Fc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C16H15F2N3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2
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US Patent
0.0670 -58.1n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221045
PNG
(US9284322, Table 7, Compound 1)
Show SMILES C1CC2NC1CC2c1cncc(c1)-c1cncnc1
Show InChI InChI=1S/C15H16N4/c1-2-15-14(4-13(1)19-15)11-3-10(5-16-6-11)12-7-17-9-18-8-12/h3,5-9,13-15,19H,1-2,4H2
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US Patent
0.120 -56.6n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221048
PNG
(US9284322, varenicline | US9303017, Varenicline)
Show SMILES C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21
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/t8-,9+
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US Patent
0.120 -56.6n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221040
PNG
(US9284322, Table 6, Compound 6)
Show SMILES Fc1ncc(cc1-c1ccncc1)C1CC2CCC1N2
Show InChI InChI=1S/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2
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US Patent
0.120 -56.6n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221039
PNG
(US9284322, Table 6, Compound 5)
Show SMILES COc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C17H18FN3O/c1-22-16-5-2-10(8-19-16)14-6-11(9-20-17(14)18)13-7-12-3-4-15(13)21-12/h2,5-6,8-9,12-13,15,21H,3-4,7H2,1H3
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US Patent
0.130 -56.4n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221043
PNG
(US9284322, Table 6, Compound 9)
Show SMILES Nc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C16H17FN4/c17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19)
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0.130 -56.4n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221038
PNG
(US9284322, Table 6, Compound 4)
Show SMILES Nc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C16H17FN4/c17-16-13(9-1-4-15(18)19-7-9)5-10(8-20-16)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2,(H2,18,19)
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US Patent
0.25 -54.8n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221049
PNG
(US9284322, Table 7, Compound 3)
Show SMILES Clc1ncc(cc1-c1cncnc1)C1CC2CCC1N2
Show InChI InChI=1S/C15H15ClN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2
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0.320 -54.2n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221035
PNG
(US9284322, Table 6, Compound 1)
Show SMILES Fc1ncc(cc1-c1cccnc1)C1CC2CCC1N2
Show InChI InChI=1S/C16H16FN3/c17-16-14(10-2-1-5-18-8-10)6-11(9-19-16)13-7-12-3-4-15(13)20-12/h1-2,5-6,8-9,12-13,15,20H,3-4,7H2
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0.350 -54.0n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221046
PNG
(US9284322, Table 7, Compound 2)
Show SMILES Fc1ncc(cc1-c1cncnc1)C1CC2CCC1N2
Show InChI InChI=1S/C15H15FN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2
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0.840 -51.8n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221042
PNG
(US9284322, Table 6, Compound 8)
Show SMILES Fc1ncc(cc1-c1ccnc(Cl)c1)C1CC2CCC1N2
Show InChI InChI=1S/C16H15ClFN3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2
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1.18 -51.0n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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US Patent
1.5 -50.4n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)