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Compile Data Set for Download or QSAR

Found 131 hits of ec50 data for polymerid = 2253,2272   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50276189
PNG
(1-(2-Naphthyl)-2-aminopropane | CHEMBL471839)
Show SMILES CC(N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C13H15N/c1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10H,8,14H2,1H3
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n/an/an/an/a 3.40n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50241050
PNG
(2-(6-fluoro-1H-indol-3-yl)ethanamine | 6-fluorotry...)
Show SMILES NCCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 4.40n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287942
PNG
(N-(4-(4-((2-phenyl-2-(pyridin-4- yl)ethyl)amino)qu...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccccc2)c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C28H25N5O2S/c1-36(34,35)33-23-13-11-22(12-14-23)27-31-26-10-6-5-9-24(26)28(32-27)30-19-25(20-7-3-2-4-8-20)21-15-17-29-18-16-21/h2-18,25,33H,19H2,1H3,(H,30,31,32)
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n/an/an/an/a 4.80n/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))
BDBM287946
PNG
(2-(4-(dimethylamino)phenyl)-N-(2- phenyl-2-(1H-pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(c2ccc[nH]2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C28H27N5/c1-33(2)22-16-14-21(15-17-22)27-31-26-12-7-6-11-23(26)28(32-27)30-19-24(25-13-8-18-29-25)20-9-4-3-5-10-20/h3-18,24,29H,19H2,1-2H3,(H,30,31,32)
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n/an/an/an/a 5.60n/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))
BDBM287937
PNG
(2-((2-(4- (dimethylamino)phenyl)quinazolin-4- yl)a...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(O)(c2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C30H28N4O/c1-34(2)25-19-17-22(18-20-25)28-32-27-16-10-9-15-26(27)29(33-28)31-21-30(35,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-20,35H,21H2,1-2H3,(H,31,32,33)
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n/an/an/an/a 6.70n/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))
BDBM287961
PNG
(N-(3-methyl-4-(4-((2-phenyl-2- (pyridin-4-yl)ethyl...)
Show SMILES Cc1cc(NS(C)(=O)=O)ccc1-c1nc(NCC(c2ccccc2)c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C29H27N5O2S/c1-20-18-23(34-37(2,35)36)12-13-24(20)29-32-27-11-7-6-10-25(27)28(33-29)31-19-26(21-8-4-3-5-9-21)22-14-16-30-17-15-22/h3-18,26,34H,19H2,1-2H3,(H,31,32,33)
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n/an/an/an/a 7.40n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025219
PNG
(CHEMBL3330643)
Show SMILES NCCc1c[nH]c2c(Cl)cccc12
Show InChI InChI=1S/C10H11ClN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2
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n/an/an/an/a 8n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM30853
PNG
(2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 10n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287936
PNG
(N-(4-(4-((2-hydroxy-2,2- diphenylethyl)amino)quina...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(O)(c2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C29H26N4O3S/c1-37(35,36)33-24-18-16-21(17-19-24)27-31-26-15-9-8-14-25(26)28(32-27)30-20-29(34,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19,33-34H,20H2,1H3,(H,30,31,32)
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n/an/an/an/a 11n/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))
BDBM287943
PNG
(2-(4-dimethylamino)phenyl)-N-(2- phenyl-2-(pyridin...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(c2ccccc2)c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C29H27N5/c1-34(2)24-14-12-23(13-15-24)28-32-27-11-7-6-10-25(27)29(33-28)31-20-26(21-8-4-3-5-9-21)22-16-18-30-19-17-22/h3-19,26H,20H2,1-2H3,(H,31,32,33)
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n/an/an/an/a 13n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025197
PNG
(CHEMBL96816)
Show SMILES CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3
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n/an/an/an/a 14n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287950
PNG
(2-(4-(dimethylamino)phenyl)-N-(2- morpholino-2-phe...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(N2CCOCC2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C28H31N5O/c1-32(2)23-14-12-22(13-15-23)27-30-25-11-7-6-10-24(25)28(31-27)29-20-26(21-8-4-3-5-9-21)33-16-18-34-19-17-33/h3-15,26H,16-20H2,1-2H3,(H,29,30,31)
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n/an/an/an/a 15n/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))
BDBM287971
PNG
(2-(4-(dimethylamino)phenyl)-N-(2,2- diphenylpropyl...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(C)(c2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C31H30N4/c1-31(24-12-6-4-7-13-24,25-14-8-5-9-15-25)22-32-30-27-16-10-11-17-28(27)33-29(34-30)23-18-20-26(21-19-23)35(2)3/h4-21H,22H2,1-3H3,(H,32,33,34)
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n/an/an/an/a 15n/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))
BDBM287972
PNG
(N-(4-(4-((2,2- diphenylpropyl)amino)quinazolin-2- ...)
Show SMILES CC(CNc1nc(nc2ccccc12)-c1ccc(NS(C)(=O)=O)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H28N4O2S/c1-30(23-11-5-3-6-12-23,24-13-7-4-8-14-24)21-31-29-26-15-9-10-16-27(26)32-28(33-29)22-17-19-25(20-18-22)34-37(2,35)36/h3-20,34H,21H2,1-2H3,(H,31,32,33)
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n/an/an/an/a 16n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025221
PNG
(CHEMBL1906905)
Show SMILES CC(N)Cc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C11H13ClN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3
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n/an/an/an/a 16n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287938
PNG
(N-(4-(4-((2-cyclohexyl-2- phenylethyl)amino)quinaz...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(C2CCCCC2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C29H32N4O2S/c1-36(34,35)33-24-18-16-23(17-19-24)28-31-27-15-9-8-14-25(27)29(32-28)30-20-26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2,4-5,8-11,14-19,22,26,33H,3,6-7,12-13,20H2,1H3,(H,30,31,32)
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n/an/an/an/a 16n/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))
BDBM287960
PNG
((5-(2-((2-(4-(dimethylamino)-2- methylphenyl)quina...)
Show SMILES CN(C)c1ccc(c(C)c1)-c1nc(NCC(c2ccc(CO)[nH]2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C30H31N5O/c1-20-17-23(35(2)3)14-15-24(20)30-33-27-12-8-7-11-25(27)29(34-30)31-18-26(21-9-5-4-6-10-21)28-16-13-22(19-36)32-28/h4-17,26,32,36H,18-19H2,1-3H3,(H,31,33,34)
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n/an/an/an/a 18n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50331286
PNG
(2-(5-chloro-1H-indol-3-yl)ethanamine | 5-Cl-T | CH...)
Show SMILES NCCc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 19n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025214
PNG
(CHEMBL3330640)
Show SMILES CCNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H16N2/c1-2-13-8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,13-14H,2,7-8H2,1H3
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n/an/an/an/a 19n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287978
PNG
(N-(4-(4-((3-methyl-2- phenylbutyl)amino)quinazolin...)
Show SMILES CC(C)C(CNc1nc(nc2ccccc12)-c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H28N4O2S/c1-18(2)23(19-9-5-4-6-10-19)17-27-26-22-11-7-8-12-24(22)28-25(29-26)20-13-15-21(16-14-20)30-33(3,31)32/h4-16,18,23,30H,17H2,1-3H3,(H,27,28,29)
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n/an/an/an/a 20n/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))
BDBM287967
PNG
(N-(2,2-di(pyridin-4-yl)ethyl)-2-(4- (dimethylamino...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(c2ccncc2)c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C28H26N6/c1-34(2)23-9-7-22(8-10-23)27-32-26-6-4-3-5-24(26)28(33-27)31-19-25(20-11-15-29-16-12-20)21-13-17-30-18-14-21/h3-18,25H,19H2,1-2H3,(H,31,32,33)
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US Patent
n/an/an/an/a 21n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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n/an/an/an/a 22n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM30701
PNG
(2-(1H-indol-3-yl)-N-methyl-ethanamine | 2-(1H-indo...)
Show SMILES CNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
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n/an/an/an/a 22n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287935
PNG
(2-(4-(dimethylamino)phenyl)-N-(2- phenyl-2-(pyridi...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(c2ccccc2)c2ccccn2)c2ccccc2n1
Show InChI InChI=1S/C29H27N5/c1-34(2)23-17-15-22(16-18-23)28-32-27-14-7-6-12-24(27)29(33-28)31-20-25(21-10-4-3-5-11-21)26-13-8-9-19-30-26/h3-19,25H,20H2,1-2H3,(H,31,32,33)
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n/an/an/an/a 22n/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))
BDBM22412
PNG
(2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H25N3O2S/c1-15-6-8-16(9-7-15)20-13-18-10-11-21(26(18)2)23(20)24-25-14-22(30-24)17-4-3-5-19(12-17)27(28)29/h3-9,12,14,18,20-21,23H,10-11,13H2,1-2H3/t18-,20+,21+,23-/m0/s1
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14n/an/an/a 23n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025198
PNG
(ETRYPTAMINE | Etryptamine)
Show SMILES CCC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3
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n/an/an/an/a 23n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025218
PNG
(CHEMBL204839)
Show SMILES Cc1cccc2c(CCN)c[nH]c12
Show InChI InChI=1S/C11H14N2/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10/h2-4,7,13H,5-6,12H2,1H3
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n/an/an/an/a 24n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287956
PNG
(2-(4-(dimethylamino)phenyl)-N-(2- phenyl-2-(pyridi...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(c2ccccc2)c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C29H27N5/c1-34(2)24-16-14-22(15-17-24)28-32-27-13-7-6-12-25(27)29(33-28)31-20-26(21-9-4-3-5-10-21)23-11-8-18-30-19-23/h3-19,26H,20H2,1-2H3,(H,31,32,33)
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n/an/an/an/a 24n/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))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 24.8n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT cloned in rat brain synaptosome by scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287957
PNG
(N-(4-(4-((2-phenyl-2-(pyridin-3- yl)ethyl)amino)qu...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccccc2)c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C28H25N5O2S/c1-36(34,35)33-23-15-13-21(14-16-23)27-31-26-12-6-5-11-24(26)28(32-27)30-19-25(20-8-3-2-4-9-20)22-10-7-17-29-18-22/h2-18,25,33H,19H2,1H3,(H,30,31,32)
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n/an/an/an/a 25n/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))
BDBM22403
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22ClN3O2S/c1-26-18-10-11-20(26)22(19(12-18)14-2-6-16(24)7-3-14)23-25-13-21(30-23)15-4-8-17(9-5-15)27(28)29/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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6.10n/an/an/a 30n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM22399
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22ClFN2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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12n/an/an/a 30n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287954
PNG
(2-(4-(dimethylamino)phenyl)-N-(2-(4- methylpiperaz...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(N2CCN(C)CC2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C29H34N6/c1-33(2)24-15-13-23(14-16-24)28-31-26-12-8-7-11-25(26)29(32-28)30-21-27(22-9-5-4-6-10-22)35-19-17-34(3)18-20-35/h4-16,27H,17-21H2,1-3H3,(H,30,31,32)
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n/an/an/an/a 30n/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))
BDBM287982
PNG
(N-(4-(4-((2-phenoxy-2- phenylethyl)amino)quinazoli...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(Oc2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C29H26N4O3S/c1-37(34,35)33-23-18-16-22(17-19-23)28-31-26-15-9-8-14-25(26)29(32-28)30-20-27(21-10-4-2-5-11-21)36-24-12-6-3-7-13-24/h2-19,27,33H,20H2,1H3,(H,30,31,32)
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n/an/an/an/a 30n/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))
BDBM287977
PNG
(2-(4-(dimethylamino)phenyl)-N-(3- methyl-2-phenylb...)
Show SMILES CC(C)C(CNc1nc(nc2ccccc12)-c1ccc(cc1)N(C)C)c1ccccc1
Show InChI InChI=1S/C27H30N4/c1-19(2)24(20-10-6-5-7-11-20)18-28-27-23-12-8-9-13-25(23)29-26(30-27)21-14-16-22(17-15-21)31(3)4/h5-17,19,24H,18H2,1-4H3,(H,28,29,30)
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n/an/an/an/a 30n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025222
PNG
(CHEMBL3330647)
Show SMILES CCC(N)Cc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C12H15ClN2/c1-2-10(14)5-8-7-15-12-4-3-9(13)6-11(8)12/h3-4,6-7,10,15H,2,5,14H2,1H3
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n/an/an/an/a 33n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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n/an/an/an/a 33n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287948
PNG
(2-(4-(dimethylamino)phenyl)-N-(2- phenyl-2-(piperi...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(N2CCCCC2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C29H33N5/c1-33(2)24-17-15-23(16-18-24)28-31-26-14-8-7-13-25(26)29(32-28)30-21-27(22-11-5-3-6-12-22)34-19-9-4-10-20-34/h3,5-8,11-18,27H,4,9-10,19-21H2,1-2H3,(H,30,31,32)
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n/an/an/an/a 34n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025212
PNG
(CHEMBL3330646)
Show SMILES CC[C@@H](N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3/t10-/m1/s1
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n/an/an/an/a 35n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025213
PNG
(CHEMBL3330648)
Show SMILES CCC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C12H15FN2/c1-2-10(14)5-8-7-15-12-4-3-9(13)6-11(8)12/h3-4,6-7,10,15H,2,5,14H2,1H3
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n/an/an/an/a 37n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM22405
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C24H25ClN2OS/c1-27-18-9-12-21(27)23(20(13-18)15-3-7-17(25)8-4-15)24-26-14-22(29-24)16-5-10-19(28-2)11-6-16/h3-8,10-11,14,18,20-21,23H,9,12-13H2,1-2H3/t18-,20+,21+,23-/m0/s1
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8.60n/an/an/a 38n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287958
PNG
(2-(4-(dimethylamino)phenyl)-N-(2,3- diphenylpropyl...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(Cc2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C31H30N4/c1-35(2)27-19-17-25(18-20-27)30-33-29-16-10-9-15-28(29)31(34-30)32-22-26(24-13-7-4-8-14-24)21-23-11-5-3-6-12-23/h3-20,26H,21-22H2,1-2H3,(H,32,33,34)
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n/an/an/an/a 39n/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))
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))
BDBM22400
PNG
(5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophe...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22Cl2N2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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28n/an/an/a 41n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287981
PNG
(2-(4-(dimethylamino)phenyl)-N-(2- phenoxy-2-phenyl...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(Oc2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C30H28N4O/c1-34(2)24-19-17-23(18-20-24)29-32-27-16-10-9-15-26(27)30(33-29)31-21-28(22-11-5-3-6-12-22)35-25-13-7-4-8-14-25/h3-20,28H,21H2,1-2H3,(H,31,32,33)
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n/an/an/an/a 42n/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))
BDBM287947
PNG
(N-(4-(4-((2-phenyl-2-(1H-pyrrol-2- yl)ethyl)amino)...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(c2ccc[nH]2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C27H25N5O2S/c1-35(33,34)32-21-15-13-20(14-16-21)26-30-25-11-6-5-10-22(25)27(31-26)29-18-23(24-12-7-17-28-24)19-8-3-2-4-9-19/h2-17,23,28,32H,18H2,1H3,(H,29,30,31)
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n/an/an/an/a 43n/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))
BDBM287951
PNG
(N-(4-(4-((2-morpholino-2- phenylethyl)amino)quinaz...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NCC(N2CCOCC2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C27H29N5O3S/c1-36(33,34)31-22-13-11-21(12-14-22)26-29-24-10-6-5-9-23(24)27(30-26)28-19-25(20-7-3-2-4-8-20)32-15-17-35-18-16-32/h2-14,25,31H,15-19H2,1H3,(H,28,29,30)
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n/an/an/an/a 43n/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))
BDBM22404
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H22ClN3O2S/c1-26-17-9-10-20(26)22(19(12-17)14-5-7-16(24)8-6-14)23-25-13-21(30-23)15-3-2-4-18(11-15)27(28)29/h2-8,11,13,17,19-20,22H,9-10,12H2,1H3/t17-,19+,20+,22-/m0/s1
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7.70n/an/an/a 45n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025220
PNG
(CHEMBL3330644)
Show SMILES COc1cccc2c(CCN)c[nH]c12
Show InChI InChI=1S/C11H14N2O/c1-14-10-4-2-3-9-8(5-6-12)7-13-11(9)10/h2-4,7,13H,5-6,12H2,1H3
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n/an/an/an/a 45n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287939
PNG
(N-(2-cyclohexyl-2-phenylethyl)-2-(4- (dimethylamin...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(C2CCCCC2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C30H34N4/c1-34(2)25-19-17-24(18-20-25)29-32-28-16-10-9-15-26(28)30(33-29)31-21-27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3,5-6,9-12,15-20,23,27H,4,7-8,13-14,21H2,1-2H3,(H,31,32,33)
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n/an/an/an/a 46n/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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