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Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'chlenov' and Initial = 'm'   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274186
PNG
((+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES NC(=O)c1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H28FN3O2/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30)
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 0.660n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274782
PNG
(8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl](pro...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(=O)NC)c2C1
Show InChI InChI=1S/C25H29F2N3O2/c1-3-10-30(11-4-5-16-14-29-23-9-6-17(26)12-20(16)23)18-13-21-19(25(31)28-2)7-8-22(27)24(21)32-15-18/h6-9,12,14,18,29H,3-5,10-11,13,15H2,1-2H3,(H,28,31)
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 0.810n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274784
PNG
(3-{[3-(5-Fluoro-1H-indol-3-yl)propyl](propyl)amino...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1 |r|
Show InChI InChI=1S/C24H28FN3O2/c1-2-10-28(11-4-5-16-14-27-22-9-8-17(25)12-20(16)22)18-13-21-19(24(26)29)6-3-7-23(21)30-15-18/h3,6-9,12,14,18,27H,2,4-5,10-11,13,15H2,1H3,(H2,26,29)/t18-/m1/s1
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 0.930n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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 0.960n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274487
PNG
(3-{Cyclobutyl[3-(5-methoxy-1H-indol-3-yl)propyl]am...)
Show SMILES COc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c2c1
Show InChI InChI=1S/C26H30FN3O3/c1-32-19-7-10-24-21(13-19)16(14-29-24)4-3-11-30(17-5-2-6-17)18-12-22-20(26(28)31)8-9-23(27)25(22)33-15-18/h7-10,13-14,17-18,29H,2-6,11-12,15H2,1H3,(H2,28,31)
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 1.19n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50191615
PNG
((3R)-(-)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)p...)
Show SMILES NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
Show InChI InChI=1S/C25H27F2N3O2/c26-16-6-9-23-20(11-16)15(13-29-23)3-2-10-30(17-4-1-5-17)18-12-21-19(25(28)31)7-8-22(27)24(21)32-14-18/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)/t18-/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50209674
PNG
(CHEMBL391531 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11|
Show InChI InChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2
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 1.20n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT

Bioorg Med Chem Lett 17: 3117-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.049
BindingDB Entry DOI: 10.7270/Q2125SBH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50209674
PNG
(CHEMBL391531 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11|
Show InChI InChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2
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 1.20n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT

Bioorg Med Chem Lett 17: 3117-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.049
BindingDB Entry DOI: 10.7270/Q2125SBH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50209679
PNG
(CHEMBL234853 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4ccc5ncccc5c4C3)c2c1 |w:12.11|
Show InChI InChI=1S/C23H22FN3O/c24-16-5-6-22-19(11-16)15(13-27-22)3-1-9-25-17-12-20-18-4-2-10-26-21(18)7-8-23(20)28-14-17/h2,4-8,10-11,13,17,25,27H,1,3,9,12,14H2
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 1.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT

Bioorg Med Chem Lett 17: 3117-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.049
BindingDB Entry DOI: 10.7270/Q2125SBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274224
PNG
((3R)-(-)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)p...)
Show SMILES CNC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
Show InChI InChI=1S/C26H29F2N3O2/c1-29-26(32)20-8-9-23(28)25-22(20)13-19(15-33-25)31(18-5-2-6-18)11-3-4-16-14-30-24-10-7-17(27)12-21(16)24/h7-10,12,14,18-19,30H,2-6,11,13,15H2,1H3,(H,29,32)/t19-/m1/s1
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 1.32n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50209682
PNG
(CHEMBL233624 | N-(4-(5-fluoro-1H-indol-3-yl)butyl)...)
Show SMILES Fc1ccc2[nH]cc(CCCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:13.12|
Show InChI InChI=1S/C24H24FN3O/c25-18-7-9-23-21(13-18)17(14-28-23)4-1-2-10-26-19-12-16-6-8-22-20(5-3-11-27-22)24(16)29-15-19/h3,5-9,11,13-14,19,26,28H,1-2,4,10,12,15H2
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 1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT

Bioorg Med Chem Lett 17: 3117-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.049
BindingDB Entry DOI: 10.7270/Q2125SBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50191619
PNG
((3R)-(-)-8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)pr...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
Show InChI InChI=1S/C24H27F2N3O2/c1-2-9-29(10-3-4-15-13-28-22-8-5-16(25)11-19(15)22)17-12-20-18(24(27)30)6-7-21(26)23(20)31-14-17/h5-8,11,13,17,28H,2-4,9-10,12,14H2,1H3,(H2,27,30)/t17-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50191615
PNG
((3R)-(-)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)p...)
Show SMILES NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
Show InChI InChI=1S/C25H27F2N3O2/c26-16-6-9-23-20(11-16)15(13-29-23)3-2-10-30(17-4-1-5-17)18-12-21-19(25(28)31)7-8-22(27)24(21)32-14-18/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)/t18-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274528
PNG
((+)-3-{Cyclobutyl[3-(5,7-difluoro-1H-indol-3-yl)pr...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(F)cc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H26F3N3O2/c26-15-9-19-14(12-30-23(19)22(28)10-15)3-2-8-31(16-4-1-5-16)17-11-20-18(25(29)32)6-7-21(27)24(20)33-13-17/h6-7,9-10,12,16-17,30H,1-5,8,11,13H2,(H2,29,32)
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 1.73n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274528
PNG
((+)-3-{Cyclobutyl[3-(5,7-difluoro-1H-indol-3-yl)pr...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(F)cc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H26F3N3O2/c26-15-9-19-14(12-30-23(19)22(28)10-15)3-2-8-31(16-4-1-5-16)17-11-20-18(25(29)32)6-7-21(27)24(20)33-13-17/h6-7,9-10,12,16-17,30H,1-5,8,11,13H2,(H2,29,32)
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 1.73n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274186
PNG
((+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES NC(=O)c1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H28FN3O2/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30)
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 1.75n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274186
PNG
((+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES NC(=O)c1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H28FN3O2/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30)
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 1.75n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274414
PNG
((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...)
Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)
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 1.88n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274414
PNG
((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...)
Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)
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 1.88n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274413
PNG
((+)-3-[[3-(5-Cyano-1H-indol-3-yl)propyl](cyclobuty...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(cc12)C#N)C1CCC1
Show InChI InChI=1S/C26H27FN4O2/c27-23-8-7-20(26(29)32)22-12-19(15-33-25(22)23)31(18-4-1-5-18)10-2-3-17-14-30-24-9-6-16(13-28)11-21(17)24/h6-9,11,14,18-19,30H,1-5,10,12,15H2,(H2,29,32)
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 1.98n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274413
PNG
((+)-3-[[3-(5-Cyano-1H-indol-3-yl)propyl](cyclobuty...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(cc12)C#N)C1CCC1
Show InChI InChI=1S/C26H27FN4O2/c27-23-8-7-20(26(29)32)22-12-19(15-33-25(22)23)31(18-4-1-5-18)10-2-3-17-14-30-24-9-6-16(13-28)11-21(17)24/h6-9,11,14,18-19,30H,1-5,10,12,15H2,(H2,29,32)
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 1.98n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50305105
PNG
((+/-)-8-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)am...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
Show InChI InChI=1S/C24H26FN3O2/c1-2-28(9-3-4-15-12-26-21-7-6-17(25)10-19(15)21)18-11-20-22(30-14-18)8-5-16-13-27-24(29)23(16)20/h5-8,10,12,18,26H,2-4,9,11,13-14H2,1H3,(H,27,29)
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 2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 222-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.134
BindingDB Entry DOI: 10.7270/Q26Q1XC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50191627
PNG
((3R)-(-)-N-Cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl...)
Show SMILES COc1cccc2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
Show InChI InChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3/t20-/m1/s1
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 2.14n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50274782
PNG
(8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl](pro...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(=O)NC)c2C1
Show InChI InChI=1S/C25H29F2N3O2/c1-3-10-30(11-4-5-16-14-29-23-9-6-17(26)12-20(16)23)18-13-21-19(25(31)28-2)7-8-22(27)24(21)32-15-18/h6-9,12,14,18,29H,3-5,10-11,13,15H2,1-2H3,(H,28,31)
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 2.40n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50274413
PNG
((+)-3-[[3-(5-Cyano-1H-indol-3-yl)propyl](cyclobuty...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(cc12)C#N)C1CCC1
Show InChI InChI=1S/C26H27FN4O2/c27-23-8-7-20(26(29)32)22-12-19(15-33-25(22)23)31(18-4-1-5-18)10-2-3-17-14-30-24-9-6-16(13-28)11-21(17)24/h6-9,11,14,18-19,30H,1-5,10,12,15H2,(H2,29,32)
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 2.44n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50274413
PNG
((+)-3-[[3-(5-Cyano-1H-indol-3-yl)propyl](cyclobuty...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(cc12)C#N)C1CCC1
Show InChI InChI=1S/C26H27FN4O2/c27-23-8-7-20(26(29)32)22-12-19(15-33-25(22)23)31(18-4-1-5-18)10-2-3-17-14-30-24-9-6-16(13-28)11-21(17)24/h6-9,11,14,18-19,30H,1-5,10,12,15H2,(H2,29,32)
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 2.44n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274783
PNG
((3R)-(-)-8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)pr...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(=O)NC)c2C1 |r|
Show InChI InChI=1S/C25H29F2N3O2/c1-3-10-30(11-4-5-16-14-29-23-9-6-17(26)12-20(16)23)18-13-21-19(25(31)28-2)7-8-22(27)24(21)32-15-18/h6-9,12,14,18,29H,3-5,10-11,13,15H2,1-2H3,(H,28,31)/t18-/m1/s1
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 2.64n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50209674
PNG
(CHEMBL391531 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11|
Show InChI InChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2
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 3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT

Bioorg Med Chem Lett 17: 3117-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.049
BindingDB Entry DOI: 10.7270/Q2125SBH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50191614
PNG
(3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]ami...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H27F2N3O2/c26-16-6-9-23-20(11-16)15(13-29-23)3-2-10-30(17-4-1-5-17)18-12-21-19(25(28)31)7-8-22(27)24(21)32-14-18/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)
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 3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		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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 3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50191618
PNG
((3S)-(+)-8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)pr...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
Show InChI InChI=1S/C24H27F2N3O2/c1-2-9-29(10-3-4-15-13-28-22-8-5-16(25)11-19(15)22)17-12-20-18(24(27)30)6-7-21(26)23(20)31-14-17/h5-8,11,13,17,28H,2-4,9-10,12,14H2,1H3,(H2,27,30)/t17-/m0/s1
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 3.20n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274526
PNG
(3-{Cyclobutyl[3-(7-methoxy-1H-indol-3-yl)propyl]am...)
Show SMILES COc1cccc2c(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c[nH]c12
Show InChI InChI=1S/C26H30FN3O3/c1-32-23-9-3-8-19-16(14-29-24(19)23)5-4-12-30(17-6-2-7-17)18-13-21-20(26(28)31)10-11-22(27)25(21)33-15-18/h3,8-11,14,17-18,29H,2,4-7,12-13,15H2,1H3,(H2,28,31)
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 3.22n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274609
PNG
(3-{(Cyclopropylmethyl)[4-(6-fluoro-1H-indol-1-yl)b...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2ccc(F)cc12)CC1CC1
Show InChI InChI=1S/C26H29F2N3O2/c27-19-6-5-18-9-12-30(24(18)13-19)10-1-2-11-31(15-17-3-4-17)20-14-22-21(26(29)32)7-8-23(28)25(22)33-16-20/h5-9,12-13,17,20H,1-4,10-11,14-16H2,(H2,29,32)
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 3.25n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50274528
PNG
((+)-3-{Cyclobutyl[3-(5,7-difluoro-1H-indol-3-yl)pr...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(F)cc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H26F3N3O2/c26-15-9-19-14(12-30-23(19)22(28)10-15)3-2-8-31(16-4-1-5-16)17-11-20-18(25(29)32)6-7-21(27)24(20)33-13-17/h6-7,9-10,12,16-17,30H,1-5,8,11,13H2,(H2,29,32)
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 3.34n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50274528
PNG
((+)-3-{Cyclobutyl[3-(5,7-difluoro-1H-indol-3-yl)pr...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(F)cc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H26F3N3O2/c26-15-9-19-14(12-30-23(19)22(28)10-15)3-2-8-31(16-4-1-5-16)17-11-20-18(25(29)32)6-7-21(27)24(20)33-13-17/h6-7,9-10,12,16-17,30H,1-5,8,11,13H2,(H2,29,32)
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 3.34n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50191616
PNG
(8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl](pro...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C24H27F2N3O2/c1-2-9-29(10-3-4-15-13-28-22-8-5-16(25)11-19(15)22)17-12-20-18(24(27)30)6-7-21(26)23(20)31-14-17/h5-8,11,13,17,28H,2-4,9-10,12,14H2,1H3,(H2,27,30)
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 3.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50274185
PNG
((-)-8-Chloro-3-{cyclobutyl[3-(5-fluoro-1H-indol-3-...)
Show SMILES NC(=O)c1ccc(Cl)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H27ClFN3O2/c26-22-8-7-19(25(28)31)21-12-18(14-32-24(21)22)30(17-4-1-5-17)10-2-3-15-13-29-23-9-6-16(27)11-20(15)23/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)
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 3.74n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50274185
PNG
((-)-8-Chloro-3-{cyclobutyl[3-(5-fluoro-1H-indol-3-...)
Show SMILES NC(=O)c1ccc(Cl)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C25H27ClFN3O2/c26-22-8-7-19(25(28)31)21-12-18(14-32-24(21)22)30(17-4-1-5-17)10-2-3-15-13-29-23-9-6-16(27)11-20(15)23/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)
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 3.74n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
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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 3.90n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274488
PNG
(3-[[3-(5-Chloro-1H-indol-3-yl)propyl](cyclobutyl)a...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(Cl)cc12)C1CCC1
Show InChI InChI=1S/C25H27ClFN3O2/c26-16-6-9-23-20(11-16)15(13-29-23)3-2-10-30(17-4-1-5-17)18-12-21-19(25(28)31)7-8-22(27)24(21)32-14-18/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)
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 3.98n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50305091
PNG
((+/-)-9-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)am...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)cc3CCNC(=O)c3c2C1
Show InChI InChI=1S/C25H27F2N3O2/c1-2-30(9-3-4-16-13-29-22-6-5-17(26)11-19(16)22)18-12-20-23-15(7-8-28-25(23)31)10-21(27)24(20)32-14-18/h5-6,10-11,13,18,29H,2-4,7-9,12,14H2,1H3,(H,28,31)
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 4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 222-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.134
BindingDB Entry DOI: 10.7270/Q26Q1XC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50305110
PNG
((+)-3-(4-((cyclopropylmethyl)(1-oxo-1,2,3,7,8,9-he...)
Show SMILES O=C1NCc2ccc3OCC(Cc3c12)N(CCCCc1c[nH]c2ccc(cc12)C#N)CC1CC1
Show InChI InChI=1S/C28H30N4O2/c29-13-19-6-8-25-23(11-19)20(14-30-25)3-1-2-10-32(16-18-4-5-18)22-12-24-26(34-17-22)9-7-21-15-31-28(33)27(21)24/h6-9,11,14,18,22,30H,1-5,10,12,15-17H2,(H,31,33)
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 4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 222-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.134
BindingDB Entry DOI: 10.7270/Q26Q1XC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50305110
PNG
((+)-3-(4-((cyclopropylmethyl)(1-oxo-1,2,3,7,8,9-he...)
Show SMILES O=C1NCc2ccc3OCC(Cc3c12)N(CCCCc1c[nH]c2ccc(cc12)C#N)CC1CC1
Show InChI InChI=1S/C28H30N4O2/c29-13-19-6-8-25-23(11-19)20(14-30-25)3-1-2-10-32(16-18-4-5-18)22-12-24-26(34-17-22)9-7-21-15-31-28(33)27(21)24/h6-9,11,14,18,22,30H,1-5,10,12,15-17H2,(H,31,33)
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 4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 222-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.134
BindingDB Entry DOI: 10.7270/Q26Q1XC6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50191618
PNG
((3S)-(+)-8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)pr...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
Show InChI InChI=1S/C24H27F2N3O2/c1-2-9-29(10-3-4-15-13-28-22-8-5-16(25)11-19(15)22)17-12-20-18(24(27)30)6-7-21(26)23(20)31-14-17/h5-8,11,13,17,28H,2-4,9-10,12,14H2,1H3,(H2,27,30)/t17-/m0/s1
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 4.70n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274489
PNG
(3-{Cyclobutyl[3-(6-fluoro-1H-indol-3-yl)propyl]ami...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2cc(F)ccc12)C1CCC1
Show InChI InChI=1S/C25H27F2N3O2/c26-16-6-7-19-15(13-29-23(19)11-16)3-2-10-30(17-4-1-5-17)18-12-21-20(25(28)31)8-9-22(27)24(21)32-14-18/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)
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 5.02n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50209679
PNG
(CHEMBL234853 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4ccc5ncccc5c4C3)c2c1 |w:12.11|
Show InChI InChI=1S/C23H22FN3O/c24-16-5-6-22-19(11-16)15(13-27-22)3-1-9-25-17-12-20-18-4-2-10-26-21(18)7-8-23(20)28-14-17/h2,4-8,10-11,13,17,25,27H,1,3,9,12,14H2
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 5.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT

Bioorg Med Chem Lett 17: 3117-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.049
BindingDB Entry DOI: 10.7270/Q2125SBH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50209679
PNG
(CHEMBL234853 | N-(3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES Fc1ccc2[nH]cc(CCCNC3COc4ccc5ncccc5c4C3)c2c1 |w:12.11|
Show InChI InChI=1S/C23H22FN3O/c24-16-5-6-22-19(11-16)15(13-27-22)3-1-9-25-17-12-20-18-4-2-10-26-21(18)7-8-23(20)28-14-17/h2,4-8,10-11,13,17,25,27H,1,3,9,12,14H2
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 5.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT

Bioorg Med Chem Lett 17: 3117-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.049
BindingDB Entry DOI: 10.7270/Q2125SBH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50191624
PNG
((3S)-(+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)p...)
Show SMILES NC(=O)c1ccc(F)c2OC[C@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
Show InChI InChI=1S/C25H27F2N3O2/c26-16-6-9-23-20(11-16)15(13-29-23)3-2-10-30(17-4-1-5-17)18-12-21-19(25(28)31)7-8-22(27)24(21)32-14-18/h6-9,11,13,17-18,29H,1-5,10,12,14H2,(H2,28,31)/t18-/m0/s1
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 5.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274223
PNG
(3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]ami...)
Show SMILES CNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C26H29F2N3O2/c1-29-26(32)20-8-9-23(28)25-22(20)13-19(15-33-25)31(18-5-2-6-18)11-3-4-16-14-30-24-10-7-17(27)12-21(16)24/h7-10,12,14,18-19,30H,2-6,11,13,15H2,1H3,(H,29,32)
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 5.35n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50274608
PNG
(3-{(Cyclopropylmethyl)[4-(5-fluoro-1H-indol-1-yl)b...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cc(F)ccc12)CC1CC1
Show InChI InChI=1S/C26H29F2N3O2/c27-19-5-8-24-18(13-19)9-12-30(24)10-1-2-11-31(15-17-3-4-17)20-14-22-21(26(29)32)6-7-23(28)25(22)33-16-20/h5-9,12-13,17,20H,1-4,10-11,14-16H2,(H2,29,32)
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 5.44n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells

J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
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