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Compile Data Set for Download or QSAR

Found 57 hits of ec50 data for polymerid = 2253   
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
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50025197
PNG
(CHEMBL96816)
Show SMILES CC(N)Cc1c[nH]c2ccc(F)cc12
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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
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
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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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))		BDBM50025200
PNG
(CHEMBL3330645)
Show SMILES CC[C@H](N)Cc1c[nH]c2ccccc12 |r|
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-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
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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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))		BDBM50025198
PNG
(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
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50025212
PNG
(CHEMBL3330646)
Show SMILES CC[C@@H](N)Cc1c[nH]c2ccccc12 |r|
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50236720
PNG
(CHEMBL4104749)
Show SMILES CN[C@@H](C)Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C11H17NO/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t9-/m0/s1
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n/an/an/an/a 41n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
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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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))		BDBM50025217
PNG
(CHEMBL3330642)
Show SMILES Cc1ccc2c(CCN)c[nH]c2c1
Show InChI InChI=1S/C11H14N2/c1-8-2-3-10-9(4-5-12)7-13-11(10)6-8/h2-3,6-7,13H,4-5,12H2,1H3
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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))		BDBM50025215
PNG
(CHEMBL3330641)
Show SMILES Cn1cc(CCN)c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3
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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))		BDBM50028124
PNG
(2-(6-Methoxy-1H-indol-3-yl)-ethylamine | 2-(6-meth...)
Show SMILES COc1ccc2c(CCN)c[nH]c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
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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))		BDBM50025200
PNG
(CHEMBL3330645)
Show SMILES CC[C@H](N)Cc1c[nH]c2ccccc12 |r|
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-/m0/s1
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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))		BDBM50010588
PNG
((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)
Show SMILES CNC(C)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
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n/an/an/an/a 61n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]5-HT release by liquid scintillation counting method

Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
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 |r|
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 68n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50010588
PNG
((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)
Show SMILES CNC(C)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
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n/an/an/an/a 72n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit high affinity uptake of [3H]5-HT into mid brain nerve endings (synaptosomes) in rat

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM85332
PNG
(MDMA, R(-))
Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 74n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50331288
PNG
(2-(5-bromo-1H-indol-3-yl)ethanamine | 5-Br-T | CHE...)
Show SMILES NCCc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C10H11BrN2/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 75n/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))		BDBM50114074
PNG
(CHEMBL3603955)
Show SMILES CN[C@@H](C)Cc1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C12H17NO2/c1-9(13-2)7-10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,13H,5-7H2,1-2H3/t9-/m0/s1
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n/an/an/an/a 91n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]5-HT release by liquid scintillation counting method

Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM86238
PNG
(CAS_3050061 | MDA,S(+) | NSC_3050061)
Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50025216
PNG
(CHEMBL382635)
Show SMILES NCCc1c[nH]c2cccc(F)c12
Show InChI InChI=1S/C10H11FN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4-5,12H2
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n/an/an/an/a 108n/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))		BDBM84738
PNG
(CAS_16105-77-4 | Fenfluramine | Fenfluramine (+) |...)
Show SMILES CCNC(C)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
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n/an/an/an/a 108n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50114072
PNG
(CHEMBL3603954)
Show SMILES CNC(C)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C12H17NO2/c1-9(13-2)7-10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,13H,5-7H2,1-2H3
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n/an/an/an/a 117n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]5-HT release by liquid scintillation counting method

Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50029103
PNG
(2-(3-Chloro-phenyl)-1-methyl-ethylamine | CHEMBL14...)
Show SMILES CC(N)Cc1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
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n/an/an/an/a 120n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT-mediated serotonin release in rat synaptosomes

ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50236728
PNG
(CHEMBL4086874)
Show SMILES CN[C@H](C)Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C11H17NO/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t9-/m1/s1
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n/an/an/an/a 134n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50073691
PNG
(2-(5-Methyl-1H-indol-3-yl)-ethylamine | 5-Methyl-t...)
Show SMILES Cc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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n/an/an/an/a 139n/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))		BDBM50005247
PNG
((+/-)2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine |...)
Show SMILES CC(N)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
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n/an/an/an/a 160n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50023177
PNG
(CHEMBL3298871)
Show SMILES Cl.CC(NC1CC1)C(=O)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C13H16ClNO.ClH/c1-8-3-4-10(7-12(8)14)13(16)9(2)15-11-5-6-11;/h3-4,7,9,11,15H,5-6H2,1-2H3;1H
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n/an/an/an/a 181n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT-mediated serotonin release in rat synaptosomes

ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50114073
PNG
(CHEMBL3604010)
Show SMILES CNC(C)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3
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n/an/an/an/a 242n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]5-HT release by liquid scintillation counting method

Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM86239
PNG
(CAS_3046161 | MDA,R(-) | NSC_3046161)
Show SMILES C[C@@H](N)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m1/s1
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n/an/an/an/a 310n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM86234
PNG
(CAS_64057-70-1 | MDMA,S(+) | NSC_126235)
Show SMILES CN[C@H](C)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m1/s1
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n/an/an/an/a 340n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method

J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50114071
PNG
(CHEMBL3604009)
Show SMILES CNC(C)C(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C12H15NO3/c1-8(13-2)12(14)9-3-4-10-11(7-9)16-6-5-15-10/h3-4,7-8,13H,5-6H2,1-2H3
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n/an/an/an/a 347n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]5-HT release by liquid scintillation counting method

Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50023161
PNG
(CHEMBL3298870)
Show SMILES Cl.CC(NC1CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H13Cl2NO.ClH/c1-7(15-9-3-4-9)12(16)8-2-5-10(13)11(14)6-8;/h2,5-7,9,15H,3-4H2,1H3;1H
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n/an/an/an/a 356n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT-mediated serotonin release in rat synaptosomes

ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50023178
PNG
(CHEMBL3298873)
Show SMILES Cl.CNC(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C10H12ClNO.ClH/c1-7(12-2)10(13)8-4-3-5-9(11)6-8;/h3-7,12H,1-2H3;1H
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n/an/an/an/a 410n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT-mediated serotonin release in rat synaptosomes

ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50023162
PNG
(CHEMBL3298862)
Show SMILES Cl.C[C@H](NC1CC1)C(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C12H14ClNO.ClH/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9;/h2-4,7-8,11,14H,5-6H2,1H3;1H/t8-;/m0./s1
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n/an/an/an/a 562n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT-mediated serotonin release in rat synaptosomes

ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50114075
PNG
(CHEMBL3603956)
Show SMILES CN[C@H](C)Cc1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C12H17NO2/c1-9(13-2)7-10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,13H,5-7H2,1-2H3/t9-/m1/s1
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Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]5-HT release by liquid scintillation counting method

Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50023165
PNG
(CHEMBL3298865)
Show SMILES Cl.CC(NC1CC1)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H14BrNO.ClH/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9;/h2-4,7-8,11,14H,5-6H2,1H3;1H
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n/an/an/an/a 621n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT-mediated serotonin release in rat synaptosomes

ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50023176
PNG
(CHEMBL3298869)
Show SMILES OC(=O)\C=C\C(O)=O.CC(NC1CC1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C13H17NO.C4H4O4/c1-9-3-5-11(6-4-9)13(15)10(2)14-12-7-8-12;5-3(6)1-2-4(7)8/h3-6,10,12,14H,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/an/an/a 667n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT-mediated serotonin release in rat synaptosomes

ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50023163
PNG
(CHEMBL3298863)
Show SMILES Cl.C[C@@H](NC1CC1)C(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C12H14ClNO.ClH/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9;/h2-4,7-8,11,14H,5-6H2,1H3;1H/t8-;/m1./s1
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n/an/an/an/a 733n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT-mediated serotonin release in rat synaptosomes

ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50023174
PNG
(CHEMBL3298867)
Show SMILES Cl.COc1cccc(c1)C(=O)C(C)NC1CC1
Show InChI InChI=1S/C13H17NO2.ClH/c1-9(14-11-6-7-11)13(15)10-4-3-5-12(8-10)16-2;/h3-5,8-9,11,14H,6-7H2,1-2H3;1H
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n/an/an/an/a 1.01E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT-mediated serotonin release in rat synaptosomes

ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
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