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PubMed code 21446715

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		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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 12.2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343477
PNG
((3S,6S)-6-Benzhydryl-N-(4-methoxybenzyl)tetrahydro...)
Show SMILES COc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO2/c1-28-24-15-12-20(13-16-24)18-27-23-14-17-25(29-19-23)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,15-16,23,25-27H,14,17-19H2,1H3/t23-,25-/m0/s1
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 12.9n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50190609
PNG
((2S,4R,5R)-5-(4-methoxybenzylamino)-2-benzhydryl-t...)
Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c1-29-22-14-12-19(13-15-22)17-27-23-18-30-25(16-24(23)28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1
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 14.7n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343477
PNG
((3S,6S)-6-Benzhydryl-N-(4-methoxybenzyl)tetrahydro...)
Show SMILES COc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO2/c1-28-24-15-12-20(13-16-24)18-27-23-14-17-25(29-19-23)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,15-16,23,25-27H,14,17-19H2,1H3/t23-,25-/m0/s1
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 15.9n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 16.2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50190601
PNG
((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1
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 25n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343470
PNG
((3S,6S)-6-Benzhydryl-N-(pyridin-4-ylmethyl)tetrahy...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccncc1 |r|
Show InChI InChI=1S/C24H26N2O/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)23-12-11-22(18-27-23)26-17-19-13-15-25-16-14-19/h1-10,13-16,22-24,26H,11-12,17-18H2/t22-,23-/m0/s1
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 28.3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50190603
PNG
(CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1
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 29.1n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343473
PNG
(3-((((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl)...)
Show SMILES Oc1cccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)c1 |r|
Show InChI InChI=1S/C25H27NO2/c27-23-13-7-8-19(16-23)17-26-22-14-15-24(28-18-22)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,22,24-27H,14-15,17-18H2/t22-,24-/m0/s1
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 31.3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190609
PNG
((2S,4R,5R)-5-(4-methoxybenzylamino)-2-benzhydryl-t...)
Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c1-29-22-14-12-19(13-15-22)17-27-23-18-30-25(16-24(23)28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1
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 37.4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343473
PNG
(3-((((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl)...)
Show SMILES Oc1cccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)c1 |r|
Show InChI InChI=1S/C25H27NO2/c27-23-13-7-8-19(16-23)17-26-22-14-15-24(28-18-22)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,22,24-27H,14-15,17-18H2/t22-,24-/m0/s1
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 40.1n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343474
PNG
((3S,6S)-6-Benzhydryl-N-(thiophen-2-ylmethyl)tetrah...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccs1 |r|
Show InChI InChI=1S/C23H25NOS/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-20(17-25-22)24-16-21-12-7-15-26-21/h1-12,15,20,22-24H,13-14,16-17H2/t20-,22-/m0/s1
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 41.4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190603
PNG
(CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1
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 42n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343476
PNG
((3S,6S)-N-((1H-Pyrrol-2-yl)methyl)-6-benzhydryltet...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc[nH]1 |r|
Show InChI InChI=1S/C23H26N2O/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-21(17-26-22)25-16-20-12-7-15-24-20/h1-12,15,21-25H,13-14,16-17H2/t21-,22-/m0/s1
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 43.2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343463
PNG
((S)-2-((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-y...)
Show SMILES O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H29NO2/c28-24(20-10-4-1-5-11-20)18-27-23-16-17-25(29-19-23)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-28H,16-19H2/t23-,24+,25-/m0/s1
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 54n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343464
PNG
((R)-2-(3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl...)
Show SMILES O[C@@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)24(29)17-28-23-15-16-25(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23-,24-,25-/m0/s1
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 71.8n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190601
PNG
((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1
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 85.2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343471
PNG
((3S,6S)-6-Benzhydryl-N-(naphthalen-1-ylmethyl)tetr...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H29NO/c1-3-11-23(12-4-1)29(24-13-5-2-6-14-24)28-19-18-26(21-31-28)30-20-25-16-9-15-22-10-7-8-17-27(22)25/h1-17,26,28-30H,18-21H2/t26-,28-/m0/s1
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 88.8n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343465
PNG
((S)-2-(((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-...)
Show SMILES O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)24(29)17-28-23-15-16-25(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23-,24+,25-/m0/s1
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 106n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343475
PNG
((3S,6S)-6-Benzhydryl-N-(furan-2-ylmethyl)tetrahydr...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccco1 |r|
Show InChI InChI=1S/C23H25NO2/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-20(17-26-22)24-16-21-12-7-15-25-21/h1-12,15,20,22-24H,13-14,16-17H2/t20-,22-/m0/s1
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 110n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343475
PNG
((3S,6S)-6-Benzhydryl-N-(furan-2-ylmethyl)tetrahydr...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccco1 |r|
Show InChI InChI=1S/C23H25NO2/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-20(17-26-22)24-16-21-12-7-15-25-21/h1-12,15,20,22-24H,13-14,16-17H2/t20-,22-/m0/s1
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 115n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343466
PNG
((R)-2-((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-y...)
Show SMILES COc1cccc(c1)[C@@H](O)CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO3/c1-30-24-14-8-13-22(17-24)25(29)18-28-23-15-16-26(31-19-23)27(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,17,23,25-29H,15-16,18-19H2,1H3/t23-,25-,26-/m0/s1
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 125n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343467
PNG
((S)-2-(((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-...)
Show SMILES COc1cccc(c1)[C@H](O)CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO3/c1-30-24-14-8-13-22(17-24)25(29)18-28-23-15-16-26(31-19-23)27(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,17,23,25-29H,15-16,18-19H2,1H3/t23-,25+,26-/m0/s1
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 137n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343476
PNG
((3S,6S)-N-((1H-Pyrrol-2-yl)methyl)-6-benzhydryltet...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc[nH]1 |r|
Show InChI InChI=1S/C23H26N2O/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-21(17-26-22)25-16-20-12-7-15-24-20/h1-12,15,21-25H,13-14,16-17H2/t21-,22-/m0/s1
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 141n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343469
PNG
((3S,6S)-6-Benzhydryl-N-(pyridin-3-ylmethyl)tetrahy...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H26N2O/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)23-14-13-22(18-27-23)26-17-19-8-7-15-25-16-19/h1-12,15-16,22-24,26H,13-14,17-18H2/t22-,23-/m0/s1
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 145n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343462
PNG
((R)-2-((3S,6S)-6-Benzhydryltetrahydro-2Hpyran-3-yl...)
Show SMILES O[C@@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H29NO2/c28-24(20-10-4-1-5-11-20)18-27-23-16-17-25(29-19-23)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-28H,16-19H2/t23-,24-,25-/m0/s1
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 145n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343469
PNG
((3S,6S)-6-Benzhydryl-N-(pyridin-3-ylmethyl)tetrahy...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H26N2O/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)23-14-13-22(18-27-23)26-17-19-8-7-15-25-16-19/h1-12,15-16,22-24,26H,13-14,17-18H2/t22-,23-/m0/s1
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 152n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343474
PNG
((3S,6S)-6-Benzhydryl-N-(thiophen-2-ylmethyl)tetrah...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccs1 |r|
Show InChI InChI=1S/C23H25NOS/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-20(17-25-22)24-16-21-12-7-15-26-21/h1-12,15,20,22-24H,13-14,16-17H2/t20-,22-/m0/s1
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 186n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 198n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343472
PNG
(2-(((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-ylam...)
Show SMILES Oc1ccccc1CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c27-23-14-8-7-13-21(23)17-26-22-15-16-24(28-18-22)25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,22,24-27H,15-18H2/t22-,24-/m0/s1
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 200n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343468
PNG
((3S,6S)-6-Benzhydryl-N-(pyridin-2-ylmethyl)tetrahy...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccn1 |r|
Show InChI InChI=1S/C24H26N2O/c1-3-9-19(10-4-1)24(20-11-5-2-6-12-20)23-15-14-22(18-27-23)26-17-21-13-7-8-16-25-21/h1-13,16,22-24,26H,14-15,17-18H2/t22-,23-/m0/s1
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 209n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343472
PNG
(2-(((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-ylam...)
Show SMILES Oc1ccccc1CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c27-23-14-8-7-13-21(23)17-26-22-15-16-24(28-18-22)25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,22,24-27H,15-18H2/t22-,24-/m0/s1
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 440n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50343471
PNG
((3S,6S)-6-Benzhydryl-N-(naphthalen-1-ylmethyl)tetr...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H29NO/c1-3-11-23(12-4-1)29(24-13-5-2-6-14-24)28-19-18-26(21-31-28)30-20-25-16-9-15-22-10-7-8-17-27(22)25/h1-17,26,28-30H,18-21H2/t26-,28-/m0/s1
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 473n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343468
PNG
((3S,6S)-6-Benzhydryl-N-(pyridin-2-ylmethyl)tetrahy...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccn1 |r|
Show InChI InChI=1S/C24H26N2O/c1-3-9-19(10-4-1)24(20-11-5-2-6-12-20)23-15-14-22(18-27-23)26-17-21-13-7-8-16-25-21/h1-13,16,22-24,26H,14-15,17-18H2/t22-,23-/m0/s1
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 483n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
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 503n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343467
PNG
((S)-2-(((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-...)
Show SMILES COc1cccc(c1)[C@H](O)CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO3/c1-30-24-14-8-13-22(17-24)25(29)18-28-23-15-16-26(31-19-23)27(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,17,23,25-29H,15-16,18-19H2,1H3/t23-,25+,26-/m0/s1
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 646n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343463
PNG
((S)-2-((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-y...)
Show SMILES O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H29NO2/c28-24(20-10-4-1-5-11-20)18-27-23-16-17-25(29-19-23)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-28H,16-19H2/t23-,24+,25-/m0/s1
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 796n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343465
PNG
((S)-2-(((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-...)
Show SMILES O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)24(29)17-28-23-15-16-25(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23-,24+,25-/m0/s1
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 825n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343470
PNG
((3S,6S)-6-Benzhydryl-N-(pyridin-4-ylmethyl)tetrahy...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccncc1 |r|
Show InChI InChI=1S/C24H26N2O/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)23-12-11-22(18-27-23)26-17-19-13-15-25-16-14-19/h1-10,13-16,22-24,26H,11-12,17-18H2/t22-,23-/m0/s1
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 889n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343462
PNG
((R)-2-((3S,6S)-6-Benzhydryltetrahydro-2Hpyran-3-yl...)
Show SMILES O[C@@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H29NO2/c28-24(20-10-4-1-5-11-20)18-27-23-16-17-25(29-19-23)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-28H,16-19H2/t23-,24-,25-/m0/s1
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 936n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343466
PNG
((R)-2-((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-y...)
Show SMILES COc1cccc(c1)[C@@H](O)CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO3/c1-30-24-14-8-13-22(17-24)25(29)18-28-23-15-16-26(31-19-23)27(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,17,23,25-29H,15-16,18-19H2,1H3/t23-,25-,26-/m0/s1
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 1.09E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		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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 1.09E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50343464
PNG
((R)-2-(3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl...)
Show SMILES O[C@@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)24(29)17-28-23-15-16-25(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23-,24-,25-/m0/s1
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 1.14E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation

J Med Chem 54: 2924-32 (2011)


Article DOI: 10.1021/jm200020a
BindingDB Entry DOI: 10.7270/Q2125T0F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%