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Compile Data Set for Download or QSAR

Found 303 hits from Albany Molecular Research, Inc.; Bristol-Myers Squibb Company   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170452
PNG
(US9085531, 97)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1S/C22H19N3S/c1-25-13-18-12-16(21-3-2-9-23-24-21)4-6-19(18)20(14-25)15-5-7-22-17(11-15)8-10-26-22/h2-12,20H,13-14H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170444
PNG
(US9085531, 14)
Show SMILES CN1CC(c2ccc3occc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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2n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170442
PNG
(US9085531, 19)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2ccoc12
Show InChI InChI=1S/C18H17NO/c1-19-11-14-5-2-3-7-15(14)17(12-19)16-8-4-6-13-9-10-20-18(13)16/h2-10,17H,11-12H2,1H3
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2n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170447
PNG
(US9085531, 70)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1S/C22H19N3S/c1-25-13-17-11-15(20-6-4-10-23-24-20)8-9-18(17)19(14-25)22-12-16-5-2-3-7-21(16)26-22/h2-12,19H,13-14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170452
PNG
(US9085531, 97)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1S/C22H19N3S/c1-25-13-18-12-16(21-3-2-9-23-24-21)4-6-19(18)20(14-25)15-5-7-22-17(11-15)8-10-26-22/h2-12,20H,13-14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170455
PNG
(US9085531, 117)
Show SMILES CN1CC(c2cc3ccccc3o2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1S/C22H19N3O/c1-25-13-17-11-15(20-6-4-10-23-24-20)8-9-18(17)19(14-25)22-12-16-5-2-3-7-21(16)26-22/h2-12,19H,13-14H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM60509
PNG
(US9085531, 125)
Show SMILES CN1Cc2ccccc2C(C1Cl)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H16ClN3/c1-21-10-12-4-2-3-5-14(12)16(17(21)18)11-6-7-15-13(8-11)9-19-20-15/h2-9,16-17H,10H2,1H3,(H,19,20)
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2.60n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM60513
PNG
(US9085531, 137)
Show SMILES CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1S/C24H21N3/c1-27-15-21-14-20(24-7-4-12-25-26-24)10-11-22(21)23(16-27)19-9-8-17-5-2-3-6-18(17)13-19/h2-14,23H,15-16H2,1H3
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<3n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170454
PNG
(US9085531, 102)
Show SMILES CN(C)Cc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1S/C21H24N2S/c1-22(2)12-15-4-6-19-18(10-15)13-23(3)14-20(19)16-5-7-21-17(11-16)8-9-24-21/h4-11,20H,12-14H2,1-3H3
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<3n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170449
PNG
(US9085531, 78)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(CN3CCOCC3)cc2C1
Show InChI InChI=1S/C23H26N2OS/c1-24-15-19-12-17(14-25-8-10-26-11-9-25)6-7-20(19)21(16-24)23-13-18-4-2-3-5-22(18)27-23/h2-7,12-13,21H,8-11,14-16H2,1H3
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3.30n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170454
PNG
(US9085531, 102)
Show SMILES CN(C)Cc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1S/C21H24N2S/c1-22(2)12-15-4-6-19-18(10-15)13-23(3)14-20(19)16-5-7-21-17(11-16)8-9-24-21/h4-11,20H,12-14H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM60503
PNG
(US9085531, 56)
Show SMILES CN1CC(c2ccc3ccccc3c2)c2c(C)cccc2C1
Show InChI InChI=1S/C21H21N/c1-15-6-5-9-19-13-22(2)14-20(21(15)19)18-11-10-16-7-3-4-8-17(16)12-18/h3-12,20H,13-14H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170446
PNG
(US9085531, 49)
Show SMILES CN1CC(c2ccc3[nH]ccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)13-6-7-18-14(10-13)8-9-19-18/h2-10,17,19H,11-12H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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4n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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4n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM60513
PNG
(US9085531, 137)
Show SMILES CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1S/C24H21N3/c1-27-15-21-14-20(24-7-4-12-25-26-24)10-11-22(21)23(16-27)19-9-8-17-5-2-3-6-18(17)13-19/h2-14,23H,15-16H2,1H3
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4.10n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170455
PNG
(US9085531, 117)
Show SMILES CN1CC(c2cc3ccccc3o2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1S/C22H19N3O/c1-25-13-17-11-15(20-6-4-10-23-24-20)8-9-18(17)19(14-25)22-12-16-5-2-3-7-21(16)26-22/h2-12,19H,13-14H2,1H3
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4.10n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170450
PNG
(US9085531, 82)
Show SMILES COc1c(ccc2sccc12)C1CN(C)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-11-13-5-3-4-6-14(13)17(12-20)15-7-8-18-16(9-10-22-18)19(15)21-2/h3-10,17H,11-12H2,1-2H3
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4.30n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170454
PNG
(US9085531, 102)
Show SMILES CN(C)Cc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1S/C21H24N2S/c1-22(2)12-15-4-6-19-18(10-15)13-23(3)14-20(19)16-5-7-21-17(11-16)8-9-24-21/h4-11,20H,12-14H2,1-3H3
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US Patent
4.40n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM60502
PNG
(BDBM50054534 | US9085531, 44)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2sccc12
Show InChI InChI=1S/C18H17NS/c1-19-11-13-5-2-3-6-14(13)17(12-19)15-7-4-8-18-16(15)9-10-20-18/h2-10,17H,11-12H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170442
PNG
(US9085531, 19)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2ccoc12
Show InChI InChI=1S/C18H17NO/c1-19-11-14-5-2-3-7-15(14)17(12-19)16-8-4-6-13-9-10-20-18(13)16/h2-10,17H,11-12H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170444
PNG
(US9085531, 14)
Show SMILES CN1CC(c2ccc3occc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM60512
PNG
(BDBM50054516 | US9085531, 134)
Show SMILES CN1CC(c2ccc3cnsc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H16N2S/c1-19-10-14-4-2-3-5-15(14)16(11-19)12-6-7-13-9-18-20-17(13)8-12/h2-9,16H,10-11H2,1H3
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US Patent
4.90n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM60514
PNG
(US9085531, 142)
Show SMILES CC1NOC(C)C1c1ccc2C(CN(C)Cc2c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H28N2O/c1-16-25(17(2)28-26-16)21-10-11-23-22(13-21)14-27(3)15-24(23)20-9-8-18-6-4-5-7-19(18)12-20/h4-13,16-17,24-26H,14-15H2,1-3H3
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5.20n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170445
PNG
(US9085531, 17)
Show SMILES CN1CC(c2ccc3ccoc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)14-7-6-13-8-9-20-18(13)10-14/h2-10,17H,11-12H2,1H3
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US Patent
5.20n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170446
PNG
(US9085531, 49)
Show SMILES CN1CC(c2ccc3[nH]ccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)13-6-7-18-14(10-13)8-9-19-18/h2-10,17,19H,11-12H2,1H3
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US Patent
5.80n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170456
PNG
(US9085531, 119)
Show SMILES CN1CC(c2ccc3cc[nH]c3c2)c2ccccc2C1
Show InChI InChI=1S/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)14-7-6-13-8-9-19-18(13)10-14/h2-10,17,19H,11-12H2,1H3
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US Patent
6.70n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM60507
PNG
(BDBM50054521 | US9085531, 75)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-17-12-18(24-8-10-25-11-9-24)6-7-19(17)20(15-23)22-13-16-4-2-3-5-21(16)26-22/h2-7,12-13,20H,8-11,14-15H2,1H3
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6.70n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170453
PNG
(US9085531, 100)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3
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US Patent
7.10n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170445
PNG
(US9085531, 17)
Show SMILES CN1CC(c2ccc3ccoc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)14-7-6-13-8-9-20-18(13)10-14/h2-10,17H,11-12H2,1H3
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7.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170453
PNG
(US9085531, 100)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3
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7.60n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170447
PNG
(US9085531, 70)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1S/C22H19N3S/c1-25-13-17-11-15(20-6-4-10-23-24-20)8-9-18(17)19(14-25)22-12-16-5-2-3-7-21(16)26-22/h2-12,19H,13-14H2,1H3
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8.10n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170452
PNG
(US9085531, 97)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1S/C22H19N3S/c1-25-13-18-12-16(21-3-2-9-23-24-21)4-6-19(18)20(14-25)15-5-7-22-17(11-15)8-10-26-22/h2-12,20H,13-14H2,1H3
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8.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170439
PNG
(US9085531, 21)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
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US Patent
8.80n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM60502
PNG
(BDBM50054534 | US9085531, 44)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2sccc12
Show InChI InChI=1S/C18H17NS/c1-19-11-13-5-2-3-6-14(13)17(12-19)15-7-4-8-18-16(15)9-10-20-18/h2-10,17H,11-12H2,1H3
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10.3n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170460
PNG
(US9085531, 135)
Show SMILES CN1CC(c2ccc3sncc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H16N2S/c1-19-10-13-4-2-3-5-15(13)16(11-19)12-6-7-17-14(8-12)9-18-20-17/h2-9,16H,10-11H2,1H3
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10.4n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM60509
PNG
(US9085531, 125)
Show SMILES CN1Cc2ccccc2C(C1Cl)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H16ClN3/c1-21-10-12-4-2-3-5-14(12)16(17(21)18)11-6-7-15-13(8-11)9-19-20-15/h2-9,16-17H,10H2,1H3,(H,19,20)
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11.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170457
PNG
(US9085531, 122)
Show SMILES CN1CC(c2ccc3[nH]ncc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-20-10-13-4-2-3-5-15(13)16(11-20)12-6-7-17-14(8-12)9-18-19-17/h2-9,16H,10-11H2,1H3,(H,18,19)
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11.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170439
PNG
(US9085531, 21)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
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11.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170458
PNG
(US9085531, 129)
Show SMILES CN1CC(c2ccc3cn[nH]c3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-20-10-14-4-2-3-5-15(14)16(11-20)12-6-7-13-9-18-19-17(13)8-12/h2-9,16H,10-11H2,1H3,(H,18,19)
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11.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170449
PNG
(US9085531, 78)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(CN3CCOCC3)cc2C1
Show InChI InChI=1S/C23H26N2OS/c1-24-15-19-12-17(14-25-8-10-26-11-9-25)6-7-20(19)21(16-24)23-13-18-4-2-3-5-22(18)27-23/h2-7,12-13,21H,8-11,14-16H2,1H3
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12.6n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170459
PNG
(US9085531, 130)
Show SMILES CCN1CC(c2ccc3cn[nH]c3c2)c2ccccc2C1
Show InChI InChI=1S/C18H19N3/c1-2-21-11-15-5-3-4-6-16(15)17(12-21)13-7-8-14-10-19-20-18(14)9-13/h3-10,17H,2,11-12H2,1H3,(H,19,20)
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12.7n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170451
PNG
(US9085531, 84)
Show SMILES COc1c(ccc2sccc12)C1CN(C)Cc2cc(ccc12)-c1ccc(C)nn1
Show InChI InChI=1S/C24H23N3OS/c1-15-4-8-22(26-25-15)16-5-6-18-17(12-16)13-27(2)14-21(18)19-7-9-23-20(10-11-29-23)24(19)28-3/h4-12,21H,13-14H2,1-3H3
PDB

KEGG

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UniChem
US Patent
12.9n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170441
PNG
(US9085531, 2)
Show SMILES CN1CC(c2cc3ccccc3o2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
NCI pathway
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KEGG

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US Patent
13.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170441
PNG
(US9085531, 2)
Show SMILES CN1CC(c2cc3ccccc3o2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
NCI pathway
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KEGG

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UniChem

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US Patent
13.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM170456
PNG
(US9085531, 119)
Show SMILES CN1CC(c2ccc3cc[nH]c3c2)c2ccccc2C1
Show InChI InChI=1S/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)14-7-6-13-8-9-19-18(13)10-14/h2-10,17,19H,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
13.9n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
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