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47 similar compounds to monomer 50191634

Compile data set for download or QSAR
Wt: 413.4
BDBM50191613
Wt: 439.4
BDBM50191614
Wt: 439.4
BDBM50191615
Wt: 427.4
BDBM50191616
Wt: 413.4
BDBM50191617
Wt: 427.4
BDBM50191618
Wt: 427.4
BDBM50191619
Wt: 413.4
BDBM50191620
Wt: 425.4
BDBM50191621
Wt: 439.4
BDBM50191622
Wt: 453.5
BDBM50191623
Wt: 439.4
BDBM50191624
Wt: 427.4
BDBM50191625
Wt: 399.4
BDBM50191626
Wt: 385.4
BDBM50191629
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 76 hits for monomerid = 50191613,50191614,50191615,50191616,50191617,50191618,50191619,50191620,50191621,50191622,50191623,50191624,50191625,50191626,50191629   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50191625
PNG
(CHEMBL208605 | rac-3-{ethyl[4-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C24H27F2N3O2/c1-2-29(10-4-3-5-15-13-28-22-9-6-16(25)11-19(15)22)17-12-20-18(24(27)30)7-8-21(26)23(20)31-14-17/h6-9,11,13,17,28H,2-5,10,12,14H2,1H3,(H2,27,30)
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0.400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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
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 5HT1A receptor expressed in CHO cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(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
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 5HT1A receptor expressed in CHO cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
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
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 (5-HT1A)


(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
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
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 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50191623
PNG
(CHEMBL385353 | rac-3-{(cyclopropylmethyl)[4-(5-flu...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)CC1CC1
Show InChI InChI=1S/C26H29F2N3O2/c27-18-6-9-24-21(11-18)17(13-30-24)3-1-2-10-31(14-16-4-5-16)19-12-22-20(26(29)32)7-8-23(28)25(22)33-15-19/h6-9,11,13,16,19,30H,1-5,10,12,14-15H2,(H2,29,32)
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2.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50191622
PNG
(CHEMBL427051 | rac-3-{(cyclopropylmethyl)[3-(5-flu...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
Show InChI InChI=1S/C25H27F2N3O2/c26-17-5-8-23-20(10-17)16(12-29-23)2-1-9-30(13-15-3-4-15)18-11-21-19(25(28)31)6-7-22(27)24(21)32-14-18/h5-8,10,12,15,18,29H,1-4,9,11,13-14H2,(H2,28,31)
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2.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
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 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
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 (5-HT1A)


(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
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 5HT1A receptor expressed in CHO cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50191623
PNG
(CHEMBL385353 | rac-3-{(cyclopropylmethyl)[4-(5-flu...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)CC1CC1
Show InChI InChI=1S/C26H29F2N3O2/c27-18-6-9-24-21(11-18)17(13-30-24)3-1-2-10-31(14-16-4-5-16)19-12-22-20(26(29)32)7-8-23(28)25(22)33-15-19/h6-9,11,13,16,19,30H,1-5,10,12,14-15H2,(H2,29,32)
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3.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50191617
PNG
((R)-3-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amin...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)/t16-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50191622
PNG
(CHEMBL427051 | rac-3-{(cyclopropylmethyl)[3-(5-flu...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
Show InChI InChI=1S/C25H27F2N3O2/c26-17-5-8-23-20(10-17)16(12-29-23)2-1-9-30(13-15-3-4-15)18-11-21-19(25(28)31)6-7-22(27)24(21)32-14-18/h5-8,10,12,15,18,29H,1-4,9,11,13-14H2,(H2,28,31)
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3.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 5HT1A receptor expressed in CHO cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50191613
PNG
((S)-3-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amin...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)/t16-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
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
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
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
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 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
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
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
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
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 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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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7.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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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7.10n/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 (5-HT1A)


(Homo sapiens (Human))
BDBM50191621
PNG
(CHEMBL379298 | rac-3-{(cyclopropylmethyl)[2-(5-flu...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
Show InChI InChI=1S/C24H25F2N3O2/c25-16-3-6-22-19(9-16)15(11-28-22)7-8-29(12-14-1-2-14)17-10-20-18(24(27)30)4-5-21(26)23(20)31-13-17/h3-6,9,11,14,17,28H,1-2,7-8,10,12-13H2,(H2,27,30)
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7.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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
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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8n/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))
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
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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8n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
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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9.30n/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 (5-HT1A)


(Homo sapiens (Human))
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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9.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50191626
PNG
((3R)-8-fluoro-3-[[3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C22H23F2N3O2/c1-27(8-2-3-13-11-26-20-7-4-14(23)9-17(13)20)15-10-18-16(22(25)28)5-6-19(24)21(18)29-12-15/h4-7,9,11,15,26H,2-3,8,10,12H2,1H3,(H2,25,28)/t15-/m1/s1
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14.8n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50191620
PNG
(CHEMBL213639 | rac-8-fluoro-3-[[2-(5-fluoro-1H-ind...)
Show SMILES CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-8-28(9-7-14-12-27-21-6-3-15(24)10-18(14)21)16-11-19-17(23(26)29)4-5-20(25)22(19)30-13-16/h3-6,10,12,16,27H,2,7-9,11,13H2,1H3,(H2,26,29)
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17.6n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50191613
PNG
((S)-3-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amin...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)/t16-/m0/s1
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18.6n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50191629
PNG
((3R)-8-fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES NC(=O)c1ccc(F)c2OC[C@@H](Cc12)NCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C21H21F2N3O2/c22-13-3-6-19-16(8-13)12(10-26-19)2-1-7-25-14-9-17-15(21(24)27)4-5-18(23)20(17)28-11-14/h3-6,8,10,14,25-26H,1-2,7,9,11H2,(H2,24,27)/t14-/m1/s1
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20.4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50191617
PNG
((R)-3-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amin...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)/t16-/m1/s1
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34.9n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50191629
PNG
((3R)-8-fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES NC(=O)c1ccc(F)c2OC[C@@H](Cc12)NCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C21H21F2N3O2/c22-13-3-6-19-16(8-13)12(10-26-19)2-1-7-25-14-9-17-15(21(24)27)4-5-18(23)20(17)28-11-14/h3-6,8,10,14,25-26H,1-2,7,9,11H2,(H2,24,27)/t14-/m1/s1
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45.2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50191620
PNG
(CHEMBL213639 | rac-8-fluoro-3-[[2-(5-fluoro-1H-ind...)
Show SMILES CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-8-28(9-7-14-12-27-21-6-3-15(24)10-18(14)21)16-11-19-17(23(26)29)4-5-20(25)22(19)30-13-16/h3-6,10,12,16,27H,2,7-9,11,13H2,1H3,(H2,26,29)
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88n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50191621
PNG
(CHEMBL379298 | rac-3-{(cyclopropylmethyl)[2-(5-flu...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
Show InChI InChI=1S/C24H25F2N3O2/c25-16-3-6-22-19(9-16)15(11-28-22)7-8-29(12-14-1-2-14)17-10-20-18(24(27)30)4-5-21(26)23(20)31-13-17/h3-6,9,11,14,17,28H,1-2,7-8,10,12-13H2,(H2,27,30)
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97.8n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
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
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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253n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
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
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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253n/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 (5-HT1A)


(Homo sapiens (Human))
BDBM50191626
PNG
((3R)-8-fluoro-3-[[3-(5-fluoro-1H-indol-3-yl)propyl...)
Show SMILES CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C22H23F2N3O2/c1-27(8-2-3-13-11-26-20-7-4-14(23)9-17(13)20)15-10-18-16(22(25)28)5-6-19(24)21(18)29-12-15/h4-7,9,11,15,26H,2-3,8,10,12H2,1H3,(H2,25,28)/t15-/m1/s1
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266n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50191625
PNG
(CHEMBL208605 | rac-3-{ethyl[4-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C24H27F2N3O2/c1-2-29(10-4-3-5-15-13-28-22-9-6-16(25)11-19(15)22)17-12-20-18(24(27)30)7-8-21(26)23(20)31-14-17/h6-9,11,13,17,28H,2-5,10,12,14H2,1H3,(H2,27,30)
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330n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50191617
PNG
((R)-3-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amin...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)/t16-/m1/s1
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n/an/a 135n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by inhibition of 8-OH-DPAT-induced decrease in forskolin-stimulated cAMP production


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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
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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n/an/a 18.7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5-HT transporter expressed in Jar cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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
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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n/an/a 181n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5-HT transporter expressed in Jar cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50191621
PNG
(CHEMBL379298 | rac-3-{(cyclopropylmethyl)[2-(5-flu...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
Show InChI InChI=1S/C24H25F2N3O2/c25-16-3-6-22-19(9-16)15(11-28-22)7-8-29(12-14-1-2-14)17-10-20-18(24(27)30)4-5-21(26)23(20)31-13-17/h3-6,9,11,14,17,28H,1-2,7-8,10,12-13H2,(H2,27,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5-HT transporter expressed in Jar cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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
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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n/an/a 405n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human cloned 5HT1A receptor expressed in CHO cells assessed as blockade of 5-HT-stimulated [35S]GTPgammaS binding


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 (5-HT1A)


(Homo sapiens (Human))
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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n/an/a 202n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human cloned 5HT1A receptor expressed in CHO cells assessed as blockade of 5-HT-stimulated [35S]GTPgammaS binding


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 (5-HT1A)


(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
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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n/an/a 48n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human cloned 5HT1A receptor expressed in CHO cells assessed as blockade of 5-HT-stimulated [35S]GTPgammaS binding


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 (5-HT1A)


(Homo sapiens (Human))
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
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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n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human cloned 5HT1A receptor expressed in CHO cells assessed as blockade of 5-HT-stimulated [35S]GTPgammaS binding


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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