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14 similar compounds to monomer 50364890

Compile data set for download or QSAR
Wt: 354.4
BDBM50364858
Wt: 466.6
BDBM50364859
Wt: 406.5
BDBM50364860
Wt: 434.5
BDBM50364861
Purchase
Wt: 406.5
BDBM50364862
Wt: 406.5
BDBM50364863
Wt: 378.4
BDBM50364864
Wt: 369.4
BDBM50364891
Wt: 295.3
BDBM50364892
Wt: 396.5
BDBM50364894
Purchase
Wt: 438.6
BDBM50364902
Wt: 298.3
BDBM50364904
Wt: 440.6
BDBM50364905
Purchase
Wt: 354.4
BDBM50364908

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50364858,50364859,50364860,50364861,50364862,50364863,50364864,50364891,50364892,50364894,50364902,50364904,50364905,50364908   
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


(Rattus norvegicus (Rat))
BDBM50364864
PNG
(CHEMBL1950145)
Show SMILES CN1CC[C@@H]1COc1ccc2-c3ccc(OC[C@H]4CCN4C)cc3C(=O)c2c1
Show InChI InChI=1S/C23H26N2O3/c1-24-9-7-15(24)13-27-17-3-5-19-20-6-4-18(28-14-16-8-10-25(16)2)12-22(20)23(26)21(19)11-17/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3/t15-,16-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364863
PNG
(CHEMBL1950144)
Show SMILES CN1CCC[C@@H]1COc1ccc2-c3ccc(OC[C@H]4CCCN4C)cc3C(=O)c2c1
Show InChI InChI=1S/C25H30N2O3/c1-26-11-3-5-17(26)15-29-19-7-9-21-22-10-8-20(14-24(22)25(28)23(21)13-19)30-16-18-6-4-12-27(18)2/h7-10,13-14,17-18H,3-6,11-12,15-16H2,1-2H3/t17-,18-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364862
PNG
(CHEMBL1950143)
Show SMILES CN1CCC[C@H]1COc1ccc2-c3ccc(OC[C@@H]4CCCN4C)cc3C(=O)c2c1
Show InChI InChI=1S/C25H30N2O3/c1-26-11-3-5-17(26)15-29-19-7-9-21-22-10-8-20(14-24(22)25(28)23(21)13-19)30-16-18-6-4-12-27(18)2/h7-10,13-14,17-18H,3-6,11-12,15-16H2,1-2H3/t17-,18-/m0/s1
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364905
PNG
(CHEMBL1950136)
Show SMILES CC[N+](C)(CC)CCOc1ccc2-c3ccc(OCC[N+](C)(CC)CC)cc3C(=O)c2c1
Show InChI InChI=1S/C27H40N2O3/c1-7-28(5,8-2)15-17-31-21-11-13-23-24-14-12-22(20-26(24)27(30)25(23)19-21)32-18-16-29(6,9-3)10-4/h11-14,19-20H,7-10,15-18H2,1-6H3/q+2
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364858
PNG
(CHEMBL1950139)
Show SMILES CN(C)CCOc1ccc2-c3ccc(OCCN(C)C)cc3C(=O)c2c1
Show InChI InChI=1S/C21H26N2O3/c1-22(2)9-11-25-15-5-7-17-18-8-6-16(26-12-10-23(3)4)14-20(18)21(24)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3
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50n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364860
PNG
(CHEMBL1950141)
Show SMILES O=C1c2cc(OCCN3CCCC3)ccc2-c2ccc(OCCN3CCCC3)cc12
Show InChI InChI=1S/C25H30N2O3/c28-25-23-17-19(29-15-13-26-9-1-2-10-26)5-7-21(23)22-8-6-20(18-24(22)25)30-16-14-27-11-3-4-12-27/h5-8,17-18H,1-4,9-16H2
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53n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364894
PNG
(CHEMBL1950126)
Show SMILES CCN(CC)CCOc1ccc-2c(Cc3cc(OCCN(CC)CC)ccc-23)c1
Show InChI InChI=1S/C25H36N2O2/c1-5-26(6-2)13-15-28-22-9-11-24-20(18-22)17-21-19-23(10-12-25(21)24)29-16-14-27(7-3)8-4/h9-12,18-19H,5-8,13-17H2,1-4H3
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770n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364902
PNG
(CHEMBL1950133)
Show SMILES CCN(CC)CCCOc1ccc2-c3ccc(OCCCN(CC)CC)cc3C(=O)c2c1
Show InChI InChI=1S/C27H38N2O3/c1-5-28(6-2)15-9-17-31-21-11-13-23-24-14-12-22(20-26(24)27(30)25(23)19-21)32-18-10-16-29(7-3)8-4/h11-14,19-20H,5-10,15-18H2,1-4H3
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830n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364908
PNG
(CHEMBL1950135)
Show SMILES CCNCCOc1ccc2-c3ccc(OCCNCC)cc3C(=O)c2c1
Show InChI InChI=1S/C21H26N2O3/c1-3-22-9-11-25-15-5-7-17-18-8-6-16(26-12-10-23-4-2)14-20(18)21(24)19(17)13-15/h5-8,13-14,22-23H,3-4,9-12H2,1-2H3
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950n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364859
PNG
(CHEMBL1950140)
Show SMILES CC(C)N(CCOc1ccc2-c3ccc(OCCN(C(C)C)C(C)C)cc3C(=O)c2c1)C(C)C
Show InChI InChI=1S/C29H42N2O3/c1-19(2)30(20(3)4)13-15-33-23-9-11-25-26-12-10-24(18-28(26)29(32)27(25)17-23)34-16-14-31(21(5)6)22(7)8/h9-12,17-22H,13-16H2,1-8H3
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1.30E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364892
PNG
(CHEMBL1950124)
Show SMILES CCN(CC)CCOc1ccc2-c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C19H21NO2/c1-3-20(4-2)11-12-22-14-9-10-16-15-7-5-6-8-17(15)19(21)18(16)13-14/h5-10,13H,3-4,11-12H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364891
PNG
(CHEMBL1950123)
Show SMILES CCN(CC)CCOc1ccc2-c3ccc(OCCOC)cc3C(=O)c2c1
Show InChI InChI=1S/C22H27NO4/c1-4-23(5-2)10-11-26-16-6-8-18-19-9-7-17(27-13-12-25-3)15-21(19)22(24)20(18)14-16/h6-9,14-15H,4-5,10-13H2,1-3H3
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2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364861
PNG
(CHEMBL1950142)
Show SMILES O=C1c2cc(OCCN3CCCCC3)ccc2-c2ccc(OCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H34N2O3/c30-27-25-19-21(31-17-15-28-11-3-1-4-12-28)7-9-23(25)24-10-8-22(20-26(24)27)32-18-16-29-13-5-2-6-14-29/h7-10,19-20H,1-6,11-18H2
PDB

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4.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50364904
PNG
(CHEMBL1950134)
Show SMILES NCCOc1ccc2-c3ccc(OCCN)cc3C(=O)c2c1
Show InChI InChI=1S/C17H18N2O3/c18-5-7-21-11-1-3-13-14-4-2-12(22-8-6-19)10-16(14)17(20)15(13)9-11/h1-4,9-10H,5-8,18-19H2
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1.50E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 22: 1633-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.126
BindingDB Entry DOI: 10.7270/Q2D21Z2W
More data for this
Ligand-Target Pair