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Compile Data Set for Download or QSAR

Found 12 hits of ph data with Target = 'Neuronal acetylcholine receptor'   
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125050
PNG
(US8772511, 11 | US9714242, 11)
Show SMILES Fc1cccc(F)c1NC(=O)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C23H22F2N4O2S/c24-16-2-1-3-17(25)21(16)28-23(31)26-15-5-4-14-10-20(32-19(14)11-15)22(30)27-18-12-29-8-6-13(18)7-9-29/h1-5,10-11,13,18H,6-9,12H2,(H,27,30)(H2,26,28,31)/t18-/m0/s1
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0.400 -49.9n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM119804
PNG
(US8691840, 7)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1
Show InChI InChI=1S/C20H23N3O3S/c21-27(25,26)18-7-3-15(4-8-18)14-1-5-17(6-2-14)22-20(24)19-13-23-11-9-16(19)10-12-23/h1-8,16,19H,9-13H2,(H,22,24)(H2,21,25,26)/t19-/m0/s1
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<1<-47.1n/an/an/an/an/a7.40



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...


US Patent US8691840 (2014)


BindingDB Entry DOI: 10.7270/Q2M32TFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM119803
PNG
(US8691840, 5)
Show SMILES O=C(Nc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C26H27N3O3S/c30-26(25-18-29-16-14-21(25)15-17-29)27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)28-33(31,32)24-4-2-1-3-5-24/h1-13,21,25,28H,14-18H2,(H,27,30)/t25-/m0/s1
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<1<-47.1n/an/an/an/an/a7.40



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...


US Patent US8691840 (2014)


BindingDB Entry DOI: 10.7270/Q2M32TFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125053
PNG
(US8772511, 22)
Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(oc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1
Show InChI InChI=1S/C24H26N4O4/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1
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<1<-47.8n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM119802
PNG
(US8691840, 2)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1
Show InChI InChI=1S/C21H25N3O3S/c1-28(26,27)23-19-8-4-16(5-9-19)15-2-6-18(7-3-15)22-21(25)20-14-24-12-10-17(20)11-13-24/h2-9,17,20,23H,10-14H2,1H3,(H,22,25)/t20-/m0/s1
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2 -45.5n/an/an/an/an/a7.40



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...


US Patent US8691840 (2014)


BindingDB Entry DOI: 10.7270/Q2M32TFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125047
PNG
(US8772511, 4 | US9714242, 22)
Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1
Show InChI InChI=1S/C24H26N4O3S/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1
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2.10 -46.0n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125052
PNG
(US8772511, 21 | US9714242, 21)
Show SMILES O=C(Nc1ccccc1)Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C23H24N4O2S/c28-22(25-19-14-27-11-9-15(19)10-12-27)20-13-16-5-4-8-18(21(16)30-20)26-23(29)24-17-6-2-1-3-7-17/h1-8,13,15,19H,9-12,14H2,(H,25,28)(H2,24,26,29)/t19-/m0/s1
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4.30 -44.4n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125049
PNG
(US8772511, 6 | US9714242, 6)
Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C24H23N5O2S/c25-13-15-2-1-3-18(10-15)26-24(31)27-19-5-4-17-11-22(32-21(17)12-19)23(30)28-20-14-29-8-6-16(20)7-9-29/h1-5,10-12,16,20H,6-9,14H2,(H,28,30)(H2,26,27,31)/t20-/m0/s1
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7.90 -43.0n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125051
PNG
(US8772511, 16 | US9714242, 16)
Show SMILES COc1cccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)c1
Show InChI InChI=1S/C24H26N4O3S/c1-31-19-4-2-3-17(12-19)25-24(30)26-18-6-5-16-11-22(32-21(16)13-18)23(29)27-20-14-28-9-7-15(20)8-10-28/h2-6,11-13,15,20H,7-10,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1
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15 -41.5n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM119805
PNG
(US8691840, 11)
Show SMILES O=C(NC1CCCC1)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1
Show InChI InChI=1S/C26H32N4O2/c31-25(24-17-30-15-13-20(24)14-16-30)27-22-9-5-18(6-10-22)19-7-11-23(12-8-19)29-26(32)28-21-3-1-2-4-21/h5-12,20-21,24H,1-4,13-17H2,(H,27,31)(H2,28,29,32)/t24-/m0/s1
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16 -40.8n/an/an/an/an/a7.40



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...


US Patent US8691840 (2014)


BindingDB Entry DOI: 10.7270/Q2M32TFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125048
PNG
(US8772511, 5 | US9714242, 5)
Show SMILES O=C(NCCc1ccccc1)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C25H28N4O2S/c30-24(28-21-16-29-12-9-18(21)10-13-29)23-14-19-6-7-20(15-22(19)32-23)27-25(31)26-11-8-17-4-2-1-3-5-17/h1-7,14-15,18,21H,8-13,16H2,(H,28,30)(H2,26,27,31)/t21-/m0/s1
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22 -40.6n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM119806
PNG
(US8691840, 15)
Show SMILES Fc1cccc(c1)C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1
Show InChI InChI=1S/C27H26FN3O2/c28-22-3-1-2-21(16-22)26(32)29-23-8-4-18(5-9-23)19-6-10-24(11-7-19)30-27(33)25-17-31-14-12-20(25)13-15-31/h1-11,16,20,25H,12-15,17H2,(H,29,32)(H,30,33)/t25-/m0/s1
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27 -39.6n/an/an/an/an/a7.40



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...


US Patent US8691840 (2014)


BindingDB Entry DOI: 10.7270/Q2M32TFR
More data for this
Ligand-Target Pair