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Patent code US9045501

Compile Data Set for Download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50334454
PNG
(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)
Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 |r|
Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
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US Patent
 0.0600 -58.3n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50014549
PNG
(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)|
Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1
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US Patent
 0.200 -55.4n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50014558
PNG
(ALOSETRON | CHEBI:253342 | Lotronex | US9045501, A...)
Show SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
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US Patent
 0.5 -53.1n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)|
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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 0.5 -53.1n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160716
PNG
(US9045501, 11)
Show SMILES Cc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.26,-5.15,;-1.99,-4.28,;-2.05,-2.71,;-.78,-1.84,;-1.12,-.34,;-2.46,.43,;-.16,.87,;1.38,.87,;2.34,-.34,;1.99,-1.84,;3.03,-3.1,;2.22,-4.41,;.72,-4.04,;-.55,-4.91,;.61,-2.51,;-.56,2.35,;-2.05,2.75,;-2.45,4.24,;-1.36,5.33,;.13,4.93,;.53,3.44,;-.96,3.1,;-.96,4.64,)|
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
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 0.800 -51.9n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160717
PNG
(US9045501, 12)
Show SMILES Oc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.03,-5.33,;-1.94,-4.24,;-2.05,-2.71,;-.78,-1.84,;-1.12,-.34,;-2.46,.43,;-.16,.87,;1.38,.87,;2.34,-.34,;1.99,-1.84,;3.03,-3.1,;2.22,-4.41,;.72,-4.04,;-.55,-4.91,;.61,-2.51,;-.56,2.35,;-2.05,2.75,;-2.45,4.24,;-1.36,5.33,;.13,4.93,;.53,3.44,;-.96,3.1,;-.96,4.64,)|
Show InChI InChI=1S/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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 2 -49.7n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160732
PNG
(US9045501, 29)
Show SMILES O=C1N(CC23CCN(CC2)CC3)Cc2n[nH]c3cccc1c23
Show InChI InChI=1S/C17H20N4O/c22-16-12-2-1-3-13-15(12)14(19-18-13)10-21(16)11-17-4-7-20(8-5-17)9-6-17/h1-3H,4-11H2,(H,18,19)
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 2 -49.7n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50014548
PNG
(CHEMBL3261479 | US9045501, 2)
Show SMILES O=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)|
Show InChI InChI=1S/C18H21N3O/c22-18-15-3-1-2-14-6-9-20(17(14)15)10-11-21(18)16-12-19-7-4-13(16)5-8-19/h1-3,6,9,13,16H,4-5,7-8,10-12H2/t16-/m1/s1
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 4 -47.9n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160711
PNG
(US9045501, 3)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wD:7.6,(2.64,-5.58,;2.16,-4.12,;3.03,-2.83,;2.12,-1.59,;2.55,.21,;1.59,1.41,;.05,1.41,;-.72,2.75,;-2.26,2.75,;-3.03,4.08,;-2.26,5.41,;-.72,5.41,;.05,4.08,;-1.28,3.31,;-1.7,4.85,;-.91,.21,;-2.4,.61,;-.67,-1.29,;-2.01,-2.06,;-2.01,-3.6,;-.68,-4.37,;.66,-3.6,;.66,-2.06,)|
Show InChI InChI=1S/C19H23N3O/c1-13-11-21-9-10-22(17-12-20-7-5-14(17)6-8-20)19(23)16-4-2-3-15(13)18(16)21/h2-4,11,14,17H,5-10,12H2,1H3/t17-/m1/s1
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 5 -47.4n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160714
PNG
(US9045501, 9)
Show SMILES Fc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.19,-5.12,;-1.85,-4.35,;-1.85,-2.81,;-.52,-2.04,;-.75,-.54,;-2.24,-.14,;.21,.66,;1.75,.66,;2.71,-.54,;2.28,-2.34,;3.19,-3.58,;2.28,-4.83,;.82,-4.35,;-.52,-5.12,;.82,-2.81,;-.19,2.15,;-1.68,2.55,;-2.08,4.04,;-.99,5.12,;.5,4.73,;.9,3.24,;-.59,2.84,;-.59,4.43,)|
Show InChI InChI=1S/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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 6 -46.9n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50014556
PNG
(CHEMBL3261486 | US9045501, 25)
Show SMILES O=C1N(CCn2c3c1cccc3[nH]c2=O)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(7.11,-8.33,;8.59,-8.78,;9.64,-7.63,;11.18,-7.75,;12.05,-9.02,;11.61,-10.5,;10.17,-11.07,;8.83,-10.31,;7.5,-11.08,;7.5,-12.62,;8.83,-13.39,;10.16,-12.62,;11.64,-13.1,;12.55,-11.84,;14.09,-11.86,;9.08,-6.2,;7.55,-5.98,;6.99,-4.54,;7.95,-3.33,;9.47,-3.57,;10.03,-5,;9.08,-3.96,;8.32,-5.3,)|
Show InChI InChI=1S/C17H20N4O2/c22-16-12-2-1-3-13-15(12)21(17(23)18-13)9-8-20(16)14-10-19-6-4-11(14)5-7-19/h1-3,11,14H,4-10H2,(H,18,23)/t14-/m1/s1
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 7 -46.5n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160730
PNG
(US9045501, 27)
Show SMILES OCc1ccc(Cn2cc3CCN(CC45CCN(CC4)CC5)C(=O)c4cccc2c34)cc1
Show InChI InChI=1S/C27H31N3O2/c31-18-21-6-4-20(5-7-21)16-30-17-22-8-12-29(19-27-9-13-28(14-10-27)15-11-27)26(32)23-2-1-3-24(30)25(22)23/h1-7,17,31H,8-16,18-19H2
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 8 -46.2n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(5.44,-9.73,;6.92,-10.18,;7.97,-9.03,;9.51,-9.15,;10.38,-10.42,;9.94,-11.9,;10.88,-13.24,;9.97,-14.5,;8.49,-14.02,;7.16,-14.79,;5.83,-14.02,;5.83,-12.48,;7.16,-11.71,;8.5,-12.47,;7.41,-7.6,;5.88,-7.38,;5.32,-5.94,;6.28,-4.73,;7.8,-4.97,;8.36,-6.4,;7.41,-5.36,;6.65,-6.7,)|
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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 8 -46.2n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160715
PNG
(US9045501, 10)
Show SMILES OCc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.24,-5.93,;-3.24,-4.39,;-1.91,-3.62,;-1.85,-2.04,;-.52,-1.27,;-.75,.23,;-2.24,.63,;.21,1.43,;1.75,1.43,;2.71,.23,;2.28,-1.57,;3.19,-2.81,;2.28,-4.06,;.82,-3.58,;-.52,-4.36,;.82,-2.04,;-.19,2.92,;-1.68,3.32,;-2.08,4.8,;-.99,5.89,;.5,5.5,;.9,4.01,;-.59,3.61,;-.59,5.2,)|
Show InChI InChI=1S/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
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 14 -44.8n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160733
PNG
(US9045501, 30 (Enant. A) | US9045501, 31 (Enant. B...)
Show SMILES O=C1N(CC2CN3CCC2CC3)Cc2n[nH]c3cccc1c23 |(-3.17,.09,;-1.83,-.68,;-.5,.09,;-.5,1.63,;.59,2.72,;2.08,2.32,;3.17,3.41,;2.77,4.9,;1.28,5.3,;.19,4.21,;1.73,4.21,;1.47,3.17,;1.01,-.62,;.96,-2.37,;1.87,-3.76,;.97,-5,;-.5,-4.53,;-1.83,-5.3,;-3.17,-4.53,;-3.17,-2.99,;-1.83,-2.22,;-.5,-2.99,)|
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 24 -43.5n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160731
PNG
(US9045501, 28)
Show SMILES O=C1N(CC23CCN(CC2)CC3)CCc2c[nH]c3cccc1c23
Show InChI InChI=1S/C19H23N3O/c23-18-15-2-1-3-16-17(15)14(12-20-16)4-8-22(18)13-19-5-9-21(10-6-19)11-7-19/h1-3,12,20H,4-11,13H2
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 30 -42.9n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160718
PNG
(US9045501, 13)
Show SMILES O=C1N(CCn2cnc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(-2.7,-.09,;-1.21,-.49,;-.15,.63,;1.38,.5,;2.24,-.78,;1.77,-2.24,;2.7,-3.59,;1.78,-4.82,;.32,-4.33,;-1.02,-5.09,;-2.35,-4.31,;-2.33,-2.77,;-.99,-2.01,;.33,-2.8,;-.55,2.12,;-2.04,2.52,;-2.44,4,;-1.35,5.09,;.14,4.69,;.54,3.21,;-1.35,2.92,;-.95,4.4,)|
Show InChI InChI=1S/C17H20N4O/c22-17-13-2-1-3-14-16(13)20(11-18-14)8-9-21(17)15-10-19-6-4-12(15)5-7-19/h1-3,11-12,15H,4-10H2/t15-/m1/s1
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 32 -42.8n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(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
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 73 -40.7n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50014547
PNG
(CHEMBL3261478 | US9045501, 1)
Show SMILES O=C1N(CCn2ccc3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)|
Show InChI InChI=1S/C18H21N3O/c22-18-15-3-1-2-14-6-9-20(17(14)15)10-11-21(18)16-12-19-7-4-13(16)5-8-19/h1-3,6,9,13,16H,4-5,7-8,10-12H2/t16-/m0/s1
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 74 -40.7n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160722
PNG
(US9045501, 17)
Show SMILES CCc1nc2cccc3C(=O)N(CCn1c23)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(3.85,-4.92,;3.08,-3.59,;1.54,-3.59,;.63,-4.82,;-.83,-4.33,;-2.17,-5.09,;-3.5,-4.31,;-3.49,-2.77,;-2.15,-2.01,;-2.36,-.49,;-3.85,-.09,;-1.31,.63,;.23,.5,;1.08,-.78,;.62,-2.24,;-.82,-2.8,;-1.71,2.12,;-3.19,2.52,;-3.59,4,;-2.5,5.09,;-1.02,4.69,;-.62,3.21,;-2.5,2.92,;-2.1,4.4,)|
Show InChI InChI=1S/C19H24N4O/c1-2-17-20-15-5-3-4-14-18(15)23(17)11-10-22(19(14)24)16-12-21-8-6-13(16)7-9-21/h3-5,13,16H,2,6-12H2,1H3/t16-/m1/s1
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 130 -39.3n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160713
PNG
(US9045501, 6)
Show SMILES O=C1N(CCCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(-2.39,-.06,;-.9,-.46,;-.31,.96,;1.11,1.55,;2.53,.96,;3.12,-.46,;2.49,-2.18,;3.39,-3.42,;2.49,-4.67,;1.02,-4.19,;-.31,-4.96,;-1.65,-4.19,;-1.65,-2.65,;-.31,-1.88,;1.02,-2.65,;-1.08,2.3,;-2.62,2.3,;-3.39,3.63,;-2.62,4.96,;-1.08,4.96,;-.31,3.63,;-1.65,2.86,;-2.06,4.4,)|
Show InChI InChI=1S/C19H23N3O/c23-19-16-4-1-3-15-7-12-21(18(15)16)8-2-9-22(19)17-13-20-10-5-14(17)6-11-20/h1,3-4,7,12,14,17H,2,5-6,8-11,13H2/t17-/m1/s1
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 205 -38.2n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160728
PNG
(US9045501, 23)
Show SMILES Clc1ccccc1-c1nc2cccc3C(=O)N(CCn1c23)[C@@H]1CN2CCC1CC2 |r,wD:21.24,(1.93,-5.67,;2.7,-4.34,;4.24,-4.34,;5.01,-3.01,;4.24,-1.67,;2.7,-1.67,;1.93,-3.01,;.39,-3.01,;-.53,-4.24,;-1.99,-3.76,;-3.33,-4.51,;-4.66,-3.73,;-4.64,-2.19,;-3.3,-1.43,;-3.52,.09,;-5.01,.49,;-2.46,1.21,;-.93,1.08,;-.07,-.2,;-.54,-1.67,;-1.98,-2.22,;-2.86,2.7,;-4.35,3.1,;-4.75,4.58,;-3.66,5.67,;-2.17,5.27,;-1.77,3.79,;-3.66,3.5,;-3.26,4.98,)|
Show InChI InChI=1S/C23H23ClN4O/c24-18-6-2-1-4-16(18)22-25-19-7-3-5-17-21(19)28(22)13-12-27(23(17)29)20-14-26-10-8-15(20)9-11-26/h1-7,15,20H,8-14H2/t20-/m1/s1
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 206 -38.2n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160733
PNG
(US9045501, 30 (Enant. A) | US9045501, 31 (Enant. B...)
Show SMILES O=C1N(CC2CN3CCC2CC3)Cc2n[nH]c3cccc1c23 |(-3.17,.09,;-1.83,-.68,;-.5,.09,;-.5,1.63,;.59,2.72,;2.08,2.32,;3.17,3.41,;2.77,4.9,;1.28,5.3,;.19,4.21,;1.73,4.21,;1.47,3.17,;1.01,-.62,;.96,-2.37,;1.87,-3.76,;.97,-5,;-.5,-4.53,;-1.83,-5.3,;-3.17,-4.53,;-3.17,-2.99,;-1.83,-2.22,;-.5,-2.99,)|
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 217 -38.0n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160735
PNG
(US9045501, 33 (Enant. A) | US9045501, 34 (Enant. B...)
Show SMILES O=C1N(CC2CN3CCC2CC3)CCc2n[nH]c3cccc1c23 |(-2.9,-.44,;-1.41,-.84,;-.37,.29,;-.76,1.78,;.32,2.87,;1.81,2.47,;2.9,3.56,;2.5,5.04,;1.01,5.44,;-.07,4.35,;1.47,4.35,;1.61,3.49,;1.18,.28,;2.04,-1.1,;1.61,-2.66,;2.52,-3.9,;1.61,-5.15,;.15,-4.67,;-1.18,-5.44,;-2.52,-4.67,;-2.52,-3.13,;-1.18,-2.36,;.15,-3.13,)|
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 241 -37.8n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160726
PNG
(US9045501, 21)
Show SMILES O=C1N(CCn2c(nc3cccc1c23)-c1ccccc1)[C@@H]1CN2CCC1CC2 |r,wD:20.23,(-5.01,-.09,;-3.52,-.49,;-2.46,.63,;-.93,.5,;-.07,-.78,;-.54,-2.24,;.39,-3.59,;-.53,-4.82,;-1.99,-4.33,;-3.33,-5.09,;-4.66,-4.31,;-4.64,-2.77,;-3.3,-2.01,;-1.98,-2.8,;1.93,-3.59,;2.7,-4.92,;4.24,-4.92,;5.01,-3.59,;4.24,-2.25,;2.7,-2.25,;-2.86,2.12,;-4.35,2.52,;-4.75,4,;-3.66,5.09,;-2.17,4.69,;-1.77,3.21,;-3.66,2.92,;-3.26,4.4,)|
Show InChI InChI=1S/C23H24N4O/c28-23-18-7-4-8-19-21(18)27(22(24-19)17-5-2-1-3-6-17)14-13-26(23)20-15-25-11-9-16(20)10-12-25/h1-8,16,20H,9-15H2/t20-/m1/s1
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 406 -36.5n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160712
PNG
(US9045501, 5)
Show SMILES O=C1N(CCCn2ccc3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:15.17,(-2.39,-.06,;-.9,-.46,;-.31,.96,;1.11,1.55,;2.53,.96,;3.12,-.46,;2.49,-2.18,;3.39,-3.42,;2.49,-4.67,;1.02,-4.19,;-.31,-4.96,;-1.65,-4.19,;-1.65,-2.65,;-.31,-1.88,;1.02,-2.65,;-1.08,2.3,;-2.62,2.3,;-3.39,3.63,;-2.62,4.96,;-1.08,4.96,;-.31,3.63,;-1.65,2.86,;-2.06,4.4,)|
Show InChI InChI=1S/C19H23N3O/c23-19-16-4-1-3-15-7-12-21(18(15)16)8-2-9-22(19)17-13-20-10-5-14(17)6-11-20/h1,3-4,7,12,14,17H,2,5-6,8-11,13H2/t17-/m0/s1
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 416 -36.4n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM160735
PNG
(US9045501, 33 (Enant. A) | US9045501, 34 (Enant. B...)
Show SMILES O=C1N(CC2CN3CCC2CC3)CCc2n[nH]c3cccc1c23 |(-2.9,-.44,;-1.41,-.84,;-.37,.29,;-.76,1.78,;.32,2.87,;1.81,2.47,;2.9,3.56,;2.5,5.04,;1.01,5.44,;-.07,4.35,;1.47,4.35,;1.61,3.49,;1.18,.28,;2.04,-1.1,;1.61,-2.66,;2.52,-3.9,;1.61,-5.15,;.15,-4.67,;-1.18,-5.44,;-2.52,-4.67,;-2.52,-3.13,;-1.18,-2.36,;.15,-3.13,)|
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 579 -35.6n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50014557
PNG
(CHEMBL3261487 | US9045501, 26)
Show SMILES O=C1N(CCN2c3c(NS2(=O)=O)cccc13)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(16.89,-9.61,;18.36,-10.06,;19.41,-8.91,;20.95,-9.03,;21.82,-10.31,;21.38,-11.78,;19.94,-12.35,;19.93,-13.9,;21.41,-14.38,;22.32,-13.13,;23.64,-13.91,;23.66,-12.37,;18.6,-14.67,;17.27,-13.9,;17.27,-12.36,;18.6,-11.59,;18.85,-7.48,;17.32,-7.26,;16.76,-5.82,;17.72,-4.62,;19.24,-4.85,;19.8,-6.28,;18.85,-5.25,;18.09,-6.58,)|
Show InChI InChI=1S/C16H20N4O3S/c21-16-12-2-1-3-13-15(12)20(24(22,23)17-13)9-8-19(16)14-10-18-6-4-11(14)5-7-18/h1-3,11,14,17H,4-10H2/t14-/m1/s1
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 701 -35.1n/an/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%