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8 similar compounds to monomer 50014551

Wt: 314.3
BDBM160714
Wt: 326.3
BDBM160715
Wt: 310.3
BDBM160716
Wt: 312.3
BDBM160717
Wt: 310.3
BDBM160734
Wt: 296.3
BDBM50014550
Wt: 330.8
BDBM50014552
Wt: 310.3
BDBM50014553

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 160714,160715,160716,160717,160734,50014550,50014552,50014553   
Target
(Institution)
LigandTarget
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
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
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US Patent
0.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM160716
PNG
(US9045501, 11)
Show SMILES Cc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2
Show InChI InChI=1/C18H22N4O/c1-12-8-14-10-19-22-7-6-21(18(23)15(9-12)17(14)22)16-11-20-4-2-13(16)3-5-20/h8-10,13,16H,2-7,11H2,1H3
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US Patent
0.800n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014553
PNG
(CHEMBL3261484)
Show SMILES Cc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H22N4O/c1-12-8-14-10-19-22-7-6-21(18(23)15(9-12)17(14)22)16-11-20-4-2-13(16)3-5-20/h8-10,13,16H,2-7,11H2,1H3/t16-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM160717
PNG
(US9045501, 12)
Show SMILES Oc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2
Show InChI InChI=1/C17H20N4O2/c22-13-7-12-9-18-21-6-5-20(17(23)14(8-13)16(12)21)15-10-19-3-1-11(15)2-4-19/h7-9,11,15,22H,1-6,10H2
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US Patent
2n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM160714
PNG
(US9045501, 9)
Show SMILES Fc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2
Show InChI InChI=1/C17H19FN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2
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US Patent
6n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
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US Patent
8n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
PDB

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8.10n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM160715
PNG
(US9045501, 10)
Show SMILES OCc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2
Show InChI InChI=1/C18H22N4O2/c23-11-12-7-14-9-19-22-6-5-21(18(24)15(8-12)17(14)22)16-10-20-3-1-13(16)2-4-20/h7-9,13,16,23H,1-6,10-11H2
PDB

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US Patent
14n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM160734
PNG
(US9045501, 32)
Show SMILES O=C1N(CC23CCN(CC2)CC3)CCn2ncc3cccc1c23
Show InChI InChI=1S/C18H22N4O/c23-17-15-3-1-2-14-12-19-22(16(14)15)11-10-21(17)13-18-4-7-20(8-5-18)9-6-18/h1-3,12H,4-11,13H2
PDB

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US Patent
73n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
PDB
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
PDB
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
PDB
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
PDB
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
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n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
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n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
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n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
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n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair