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Found 3774 hits Enz. Inhib. hit(s) with Target = 'Monoamine transporters; serotonin & dopamine'   
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
Monoamine transporters; serotonin & dopamine


(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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US Patent
3.80n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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4.40n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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
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13.5n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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
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13.5n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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14.3n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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19.8n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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29.4n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM60506
PNG
(US9085531, 71)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cnccn1
Show InChI InChI=1S/C22H19N3S/c1-25-13-17-10-15(20-12-23-8-9-24-20)6-7-18(17)19(14-25)22-11-16-4-2-3-5-21(16)26-22/h2-12,19H,13-14H2,1H3
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33n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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35.4n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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36.5n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM170448
PNG
(US9085531, 73)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cncnc1
Show InChI InChI=1S/C22H19N3S/c1-25-12-17-8-15(18-10-23-14-24-11-18)6-7-19(17)20(13-25)22-9-16-4-2-3-5-21(16)26-22/h2-11,14,20H,12-13H2,1H3
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39n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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39.5n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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41.3n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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53.4n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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59.7n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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79.4n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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104n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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105n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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119n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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128n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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284n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM170443
PNG
(US9085531, 11)
Show SMILES COc1cccc2cc(oc12)C1CN(C)Cc2ccccc12
Show InChI InChI=1S/C19H19NO2/c1-20-11-14-6-3-4-8-15(14)16(12-20)18-10-13-7-5-9-17(21-2)19(13)22-18/h3-10,16H,11-12H2,1-2H3
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>300n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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300n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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371 -36.3n/an/a 303n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM60508
PNG
(BDBM50054527 | US9085531, 76)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCCCC1
Show InChI InChI=1S/C23H26N2S/c1-24-15-18-13-19(25-11-5-2-6-12-25)9-10-20(18)21(16-24)23-14-17-7-3-4-8-22(17)26-23/h3-4,7-10,13-14,21H,2,5-6,11-12,15-16H2,1H3
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460n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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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>1.00E+3n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(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
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>1.00E+3n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM170435
PNG
(US9085531, 4-methyl-thiophen-2-yl)
Show SMILES CN1CC(c2ccc(C)s2)c2ccccc2C1
Show InChI InChI=1S/C15H17NS/c1-11-7-8-15(17-11)14-10-16(2)9-12-5-3-4-6-13(12)14/h3-8,14H,9-10H2,1-2H3
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2.25E+3n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM30128
PNG
(phthalazinone, 21)
Show SMILES COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C36H48FN3O5/c1-42-29-16-17-32(37)25(23-29)11-13-27-14-15-28(45-27)19-21-38-20-7-4-8-22-40-36(41)31-10-6-5-9-30(31)35(39-40)26-12-18-33(43-2)34(24-26)44-3/h5-6,12,16-18,23-24,27-28,30-31,38H,4,7-11,13-15,19-22H2,1-3H3
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2.48E+3 -31.7n/an/a 3.56E+3n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM170437
PNG
(US9085531, 6-methoxy-pyridin-3-yl)
Show SMILES COc1ccc(cn1)C1CN(C)Cc2ccccc12
Show InChI InChI=1S/C16H18N2O/c1-18-10-13-5-3-4-6-14(13)15(11-18)12-7-8-16(19-2)17-9-12/h3-9,15H,10-11H2,1-2H3
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2.79E+3n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM30129
PNG
(phthalazinone, 22)
Show SMILES COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C37H50FN3O5/c1-43-30-17-18-33(38)26(24-30)10-9-11-28-15-16-29(46-28)20-22-39-21-7-4-8-23-41-37(42)32-13-6-5-12-31(32)36(40-41)27-14-19-34(44-2)35(25-27)45-3/h5-6,14,17-19,24-25,28-29,31-32,39H,4,7-13,15-16,20-23H2,1-3H3
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5.34E+3 -29.8n/an/a 5.34E+3n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM170436
PNG
(US9085531, 5-methyl-furan-2-yl)
Show SMILES CN1CC(c2ccc(C)o2)c2ccccc2C1
Show InChI InChI=1S/C15H17NO/c1-11-7-8-15(17-11)14-10-16(2)9-12-5-3-4-6-13(12)14/h3-8,14H,9-10H2,1-2H3
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5.64E+3n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM170434
PNG
(US9085531, thiophen-2-yl)
Show SMILES CN1CC(c2cccs2)c2ccccc2C1
Show InChI InChI=1S/C14H15NS/c1-15-9-11-5-2-3-6-12(11)13(10-15)14-7-4-8-16-14/h2-8,13H,9-10H2,1H3
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5.99E+3n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM30131
PNG
(tetrahydrofuranyl ethylamine, 14)
Show SMILES COc1ccc(F)cc1CCC1CCC(CCN)O1
Show InChI InChI=1S/C15H22FNO2/c1-18-15-7-3-12(16)10-11(15)2-4-13-5-6-14(19-13)8-9-17/h3,7,10,13-14H,2,4-6,8-9,17H2,1H3
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6.50E+3 -29.3n/an/a 2.79E+4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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6.67E+3 -29.2n/an/a 1.95E+4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM30132
PNG
(CHEMBL450907 | tetrahydrofuranyl ethylamine, 15)
Show SMILES COc1ccc(F)cc1CCCC1CCC(CCN)O1
Show InChI InChI=1S/C16H24FNO2/c1-19-16-8-5-13(17)11-12(16)3-2-4-14-6-7-15(20-14)9-10-18/h5,8,11,14-15H,2-4,6-7,9-10,18H2,1H3
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7.31E+3 -29.0n/an/a 1.70E+4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM30133
PNG
(tetrahydrofuranyl ethylamine, 24)
Show SMILES CNCCC1CCC(CCc2cc(F)ccc2OC)O1
Show InChI InChI=1S/C16H24FNO2/c1-18-10-9-15-7-6-14(20-15)5-3-12-11-13(17)4-8-16(12)19-2/h4,8,11,14-15,18H,3,5-7,9-10H2,1-2H3
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6.70E+4 -23.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM30127
PNG
(CHEMBL480988 | phthalazinone, 20)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12
Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3
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>1.00E+5>-22.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM30126
PNG
(CHEMBL313041 | phthalazinone, 19)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12
Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)
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>1.00E+5>-22.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM170433
PNG
(US9085531, 4-(3,5-dimethyl-isoxazol-4-yl)
Show SMILES CN1CC(c2c(C)noc2C)c2ccccc2C1
Show InChI InChI=1S/C15H18N2O/c1-10-15(11(2)18-16-10)14-9-17(3)8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3
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1.28E+5n/an/an/an/an/an/a7.4n/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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM287973
PNG
(2-(4-(dimethylamino)phenyl)-N-(1,2- diphenylethyl)...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NC(Cc2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C30H28N4/c1-34(2)25-19-17-24(18-20-25)29-31-27-16-10-9-15-26(27)30(33-29)32-28(23-13-7-4-8-14-23)21-22-11-5-3-6-12-22/h3-20,28H,21H2,1-2H3,(H,31,32,33)
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n/an/an/an/a 40n/an/a7.4n/a



THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTE OF HEALTH; SOUTHERN RESEARCH INSTITUTE

US Patent


Assay Description
Uptake inhibition assay for the dopamine transporter was conducted in rat brain synaptosomes as described elsewhere with minor modifications (Rothman...


US Patent US10087148 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM287974
PNG
(N-(4-(4-((1,2- diphenylethyl)amino)quinazolin-2- y...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(Cc2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C29H26N4O2S/c1-36(34,35)33-24-18-16-23(17-19-24)28-30-26-15-9-8-14-25(26)29(32-28)31-27(22-12-6-3-7-13-22)20-21-10-4-2-5-11-21/h2-19,27,33H,20H2,1H3,(H,30,31,32)
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n/an/an/an/a 50n/an/a7.4n/a



THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTE OF HEALTH; SOUTHERN RESEARCH INSTITUTE

US Patent


Assay Description
Uptake inhibition assay for the dopamine transporter was conducted in rat brain synaptosomes as described elsewhere with minor modifications (Rothman...


US Patent US10087148 (2018)

More data for this
Ligand-Target Pair
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