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PubMed code 18760923

Compile data set for download or QSAR
Found 37 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


(Homo sapiens (Human))		BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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 0.0800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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 2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50263946
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-isopropoxyphenyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C24H32N6O2/c1-20(2)32-22-8-4-3-7-21(22)28-17-15-27(16-18-28)12-5-6-13-30-24(31)10-9-23(26-30)29-14-11-25-19-29/h3-4,7-11,14,19-20H,5-6,12-13,15-18H2,1-2H3
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 6.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50263947
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(3-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)18-4-3-5-19(16-18)29-14-12-28(13-15-29)9-1-2-10-31-21(32)7-6-20(27-31)30-11-8-26-17-30/h3-8,11,16-17H,1-2,9-10,12-15H2
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 13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50263945
PNG
(2-(4-(4-(2-ethoxyphenyl)piperazin-1-yl)butyl)-6-(1...)
Show SMILES CCOc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C23H30N6O2/c1-2-31-21-8-4-3-7-20(21)27-17-15-26(16-18-27)12-5-6-13-29-23(30)10-9-22(25-29)28-14-11-24-19-28/h3-4,7-11,14,19H,2,5-6,12-13,15-18H2,1H3
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 14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50264009
PNG
(6-(1H-indol-1-yl)-2-(4-(4-(2-isopropoxyphenyl)pipe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
Show InChI InChI=1S/C29H35N5O2/c1-23(2)36-27-12-6-5-11-26(27)32-21-19-31(20-22-32)16-7-8-17-34-29(35)14-13-28(30-34)33-18-15-24-9-3-4-10-25(24)33/h3-6,9-15,18,23H,7-8,16-17,19-22H2,1-2H3
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 22.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50264008
PNG
(2-(4-(4-(2-ethoxyphenyl)piperazin-1-yl)butyl)-6-(1...)
Show SMILES CCOc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
Show InChI InChI=1S/C28H33N5O2/c1-2-35-26-12-6-5-11-25(26)31-21-19-30(20-22-31)16-7-8-17-33-28(34)14-13-27(29-33)32-18-15-23-9-3-4-10-24(23)32/h3-6,9-15,18H,2,7-8,16-17,19-22H2,1H3
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 27.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50264010
PNG
(6-(1H-indol-1-yl)-2-(4-(4-(3-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
Show InChI InChI=1S/C27H28F3N5O/c28-27(29,30)22-7-5-8-23(20-22)33-18-16-32(17-19-33)13-3-4-14-35-26(36)11-10-25(31-35)34-15-12-21-6-1-2-9-24(21)34/h1-2,5-12,15,20H,3-4,13-14,16-19H2
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 62n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50264010
PNG
(6-(1H-indol-1-yl)-2-(4-(4-(3-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
Show InChI InChI=1S/C27H28F3N5O/c28-27(29,30)22-7-5-8-23(20-22)33-18-16-32(17-19-33)13-3-4-14-35-26(36)11-10-25(31-35)34-15-12-21-6-1-2-9-24(21)34/h1-2,5-12,15,20H,3-4,13-14,16-19H2
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 83n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5HT2A receptor

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264010
PNG
(6-(1H-indol-1-yl)-2-(4-(4-(3-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
Show InChI InChI=1S/C27H28F3N5O/c28-27(29,30)22-7-5-8-23(20-22)33-18-16-32(17-19-33)13-3-4-14-35-26(36)11-10-25(31-35)34-15-12-21-6-1-2-9-24(21)34/h1-2,5-12,15,20H,3-4,13-14,16-19H2
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 109n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50263947
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(3-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)18-4-3-5-19(16-18)29-14-12-28(13-15-29)9-1-2-10-31-21(32)7-6-20(27-31)30-11-8-26-17-30/h3-8,11,16-17H,1-2,9-10,12-15H2
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 166n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5HT2A receptor

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264060
PNG
(2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piper...)
Show SMILES O=c1ccc(nn1CCCCN1CCN(CC1)c1ccc2OCCOc2c1)-n1ccc2ccccc12
Show InChI InChI=1S/C28H31N5O3/c34-28-10-9-27(32-14-11-22-5-1-2-6-24(22)32)29-33(28)13-4-3-12-30-15-17-31(18-16-30)23-7-8-25-26(21-23)36-20-19-35-25/h1-2,5-11,14,21H,3-4,12-13,15-20H2
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 177n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50264058
PNG
(6-(1H-indol-1-yl)-2-(4-(4-(pyrimidin-2-yl)piperazi...)
Show SMILES O=c1ccc(nn1CCCCN1CCN(CC1)c1ncccn1)-n1ccc2ccccc12
Show InChI InChI=1S/C24H27N7O/c32-23-9-8-22(30-15-10-20-6-1-2-7-21(20)30)27-31(23)14-4-3-13-28-16-18-29(19-17-28)24-25-11-5-12-26-24/h1-2,5-12,15H,3-4,13-14,16-19H2
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 210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263947
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(3-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)18-4-3-5-19(16-18)29-14-12-28(13-15-29)9-1-2-10-31-21(32)7-6-20(27-31)30-11-8-26-17-30/h3-8,11,16-17H,1-2,9-10,12-15H2
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 230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50117128
PNG
(6-(1H-indol-1-yl)-2-(4-(4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
Show InChI InChI=1S/C27H31N5O2/c1-34-25-11-5-4-10-24(25)30-20-18-29(19-21-30)15-6-7-16-32-27(33)13-12-26(28-32)31-17-14-22-8-2-3-9-23(22)31/h2-5,8-14,17H,6-7,15-16,18-21H2,1H3
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 253n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50264061
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C22H26N6O3/c1-31-19-6-3-2-5-18(19)25-13-15-26(16-14-25)21(29)7-4-11-28-22(30)9-8-20(24-28)27-12-10-23-17-27/h2-3,5-6,8-10,12,17H,4,7,11,13-16H2,1H3
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 318n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50264060
PNG
(2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piper...)
Show SMILES O=c1ccc(nn1CCCCN1CCN(CC1)c1ccc2OCCOc2c1)-n1ccc2ccccc12
Show InChI InChI=1S/C28H31N5O3/c34-28-10-9-27(32-14-11-22-5-1-2-6-24(22)32)29-33(28)13-4-3-12-30-15-17-31(18-16-30)23-7-8-25-26(21-23)36-20-19-35-25/h1-2,5-11,14,21H,3-4,12-13,15-20H2
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 627n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264008
PNG
(2-(4-(4-(2-ethoxyphenyl)piperazin-1-yl)butyl)-6-(1...)
Show SMILES CCOc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
Show InChI InChI=1S/C28H33N5O2/c1-2-35-26-12-6-5-11-25(26)31-21-19-30(20-22-31)16-7-8-17-33-28(34)14-13-27(29-33)32-18-15-23-9-3-4-10-24(23)32/h3-6,9-15,18H,2,7-8,16-17,19-22H2,1H3
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 639n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50264011
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(pyrimidin-2-yl)piper...)
Show SMILES O=c1ccc(nn1CCCCN1CCN(CC1)c1ncccn1)-n1ccnc1
Show InChI InChI=1S/C19H24N8O/c28-18-5-4-17(26-11-8-20-16-26)23-27(18)10-2-1-9-24-12-14-25(15-13-24)19-21-6-3-7-22-19/h3-8,11,16H,1-2,9-10,12-15H2
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 890n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50264059
PNG
(2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piper...)
Show SMILES O=c1ccc(nn1CCCCN1CCN(CC1)c1ccc2OCCOc2c1)-n1ccnc1
Show InChI InChI=1S/C23H28N6O3/c30-23-6-5-22(28-10-7-24-18-28)25-29(23)9-2-1-8-26-11-13-27(14-12-26)19-3-4-20-21(17-19)32-16-15-31-20/h3-7,10,17-18H,1-2,8-9,11-16H2
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 937n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263352
PNG
(2-(3-(1H-imidazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C24H31N7O3/c1-19(2)34-21-6-4-3-5-20(21)29-15-13-28(14-16-29)11-10-26-23(32)17-31-24(33)8-7-22(27-31)30-12-9-25-18-30/h3-9,12,18-19H,10-11,13-17H2,1-2H3,(H,26,32)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263312
PNG
(2-(4-(4-(2-ethoxyphenyl)piperazin-1-yl)-4-oxobutyl...)
Show SMILES CCOc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C23H28N6O3/c1-2-32-20-7-4-3-6-19(20)26-14-16-27(17-15-26)22(30)8-5-12-29-23(31)10-9-21(25-29)28-13-11-24-18-28/h3-4,6-7,9-11,13,18H,2,5,8,12,14-17H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264061
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C22H26N6O3/c1-31-19-6-3-2-5-18(19)25-13-15-26(16-14-25)21(29)7-4-11-28-22(30)9-8-20(24-28)27-12-10-23-17-27/h2-3,5-6,8-10,12,17H,4,7,11,13-16H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263313
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-isopropoxyphenyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C24H30N6O3/c1-19(2)33-21-7-4-3-6-20(21)27-14-16-28(17-15-27)23(31)8-5-12-30-24(32)10-9-22(26-30)29-13-11-25-18-29/h3-4,6-7,9-11,13,18-19H,5,8,12,14-17H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264009
PNG
(6-(1H-indol-1-yl)-2-(4-(4-(2-isopropoxyphenyl)pipe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
Show InChI InChI=1S/C29H35N5O2/c1-23(2)36-27-12-6-5-11-26(27)32-21-19-31(20-22-32)16-7-8-17-34-29(35)14-13-28(30-34)33-18-15-24-9-3-4-10-25(24)33/h3-6,9-15,18,23H,7-8,16-17,19-22H2,1-2H3
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 1.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50263315
PNG
(2-(3-(1H-imidazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N...)
Show SMILES CCOc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C23H29N7O3/c1-2-33-20-6-4-3-5-19(20)28-15-13-27(14-16-28)11-10-25-22(31)17-30-23(32)8-7-21(26-30)29-12-9-24-18-29/h3-9,12,18H,2,10-11,13-17H2,1H3,(H,25,31)
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 1.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50263313
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-isopropoxyphenyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C24H30N6O3/c1-19(2)33-21-7-4-3-6-20(21)27-14-16-28(17-15-27)23(31)8-5-12-30-24(32)10-9-22(26-30)29-13-11-25-18-29/h3-4,6-7,9-11,13,18-19H,5,8,12,14-17H2,1-2H3
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 1.56E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50263352
PNG
(2-(3-(1H-imidazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C24H31N7O3/c1-19(2)34-21-6-4-3-5-20(21)29-15-13-28(14-16-29)11-10-26-23(32)17-31-24(33)8-7-22(27-31)30-12-9-25-18-30/h3-9,12,18-19H,10-11,13-17H2,1-2H3,(H,26,32)
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 1.91E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50263314
PNG
(2-(3-(1H-imidazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C22H27N7O3/c1-32-19-5-3-2-4-18(19)27-14-12-26(13-15-27)10-9-24-21(30)16-29-22(31)7-6-20(25-29)28-11-8-23-17-28/h2-8,11,17H,9-10,12-16H2,1H3,(H,24,30)
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 2.07E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50263312
PNG
(2-(4-(4-(2-ethoxyphenyl)piperazin-1-yl)-4-oxobutyl...)
Show SMILES CCOc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
Show InChI InChI=1S/C23H28N6O3/c1-2-32-20-7-4-3-6-19(20)26-14-16-27(17-15-26)22(30)8-5-12-29-23(31)10-9-21(25-29)28-13-11-24-18-28/h3-4,6-7,9-11,13,18H,2,5,8,12,14-17H2,1H3
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 2.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263314
PNG
(2-(3-(1H-imidazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C22H27N7O3/c1-32-19-5-3-2-4-18(19)27-14-12-26(13-15-27)10-9-24-21(30)16-29-22(31)7-6-20(25-29)28-11-8-23-17-28/h2-8,11,17H,9-10,12-16H2,1H3,(H,24,30)
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 3.46E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263315
PNG
(2-(3-(1H-imidazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N...)
Show SMILES CCOc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C23H29N7O3/c1-2-33-20-6-4-3-5-19(20)28-15-13-27(14-16-28)11-10-25-22(31)17-30-23(32)8-7-21(26-30)29-12-9-24-18-29/h3-9,12,18H,2,10-11,13-17H2,1H3,(H,25,31)
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 5.98E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263946
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(2-isopropoxyphenyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C24H32N6O2/c1-20(2)32-22-8-4-3-7-21(22)28-17-15-27(16-18-28)12-5-6-13-30-24(31)10-9-23(26-30)29-14-11-25-19-29/h3-4,7-11,14,19-20H,5-6,12-13,15-18H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264059
PNG
(2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piper...)
Show SMILES O=c1ccc(nn1CCCCN1CCN(CC1)c1ccc2OCCOc2c1)-n1ccnc1
Show InChI InChI=1S/C23H28N6O3/c30-23-6-5-22(28-10-7-24-18-28)25-29(23)9-2-1-8-26-11-13-27(14-12-26)19-3-4-20-21(17-19)32-16-15-31-20/h3-7,10,17-18H,1-2,8-9,11-16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264058
PNG
(6-(1H-indol-1-yl)-2-(4-(4-(pyrimidin-2-yl)piperazi...)
Show SMILES O=c1ccc(nn1CCCCN1CCN(CC1)c1ncccn1)-n1ccc2ccccc12
Show InChI InChI=1S/C24H27N7O/c32-23-9-8-22(30-15-10-20-6-1-2-7-21(20)30)27-31(23)14-4-3-13-28-16-18-29(19-17-28)24-25-11-5-12-26-24/h1-2,5-12,15H,3-4,13-14,16-19H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264011
PNG
(6-(1H-imidazol-1-yl)-2-(4-(4-(pyrimidin-2-yl)piper...)
Show SMILES O=c1ccc(nn1CCCCN1CCN(CC1)c1ncccn1)-n1ccnc1
Show InChI InChI=1S/C19H24N8O/c28-18-5-4-17(26-11-8-20-16-26)23-27(18)10-2-1-9-24-12-14-25(15-13-24)19-21-6-3-7-22-19/h3-8,11,16H,1-2,9-10,12-15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263945
PNG
(2-(4-(4-(2-ethoxyphenyl)piperazin-1-yl)butyl)-6-(1...)
Show SMILES CCOc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C23H30N6O2/c1-2-31-21-8-4-3-7-20(21)27-17-15-26(16-18-27)12-5-6-13-29-23(30)10-9-22(25-29)28-14-11-24-19-28/h3-4,7-11,14,19H,2,5-6,12-13,15-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in human platelet membrane

Bioorg Med Chem Lett 18: 5140-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.084
BindingDB Entry DOI: 10.7270/Q2WS8V4S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%