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Compile Data Set for Download or QSAR

Found 576 hits with Last Name = 'failli' and Initial = 'a'   
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
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319772
PNG
((2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-trimethyl-6...)
Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C24H29NO/c1-17-7-5-6-8-21(17)18-9-11-19(12-10-18)22(26)25-16-24(4)14-20(25)13-23(2,3)15-24/h5-12,20H,13-16H2,1-4H3/t20-,24-/m1/s1
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 0.0500n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319776
PNG
((2,2'-dimethylbiphenyl-4-yl)((1S,5R)-1,3,3-trimeth...)
Show SMILES Cc1ccccc1-c1ccc(cc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO/c1-17-8-6-7-9-21(17)22-11-10-19(12-18(22)2)23(27)26-16-25(5)14-20(26)13-24(3,4)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m1/s1
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 0.0600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319799
PNG
((4-(1H-indol-3-yl)-3-methoxyphenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1c[nH]c2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H30N2O2/c1-25(2)12-18-13-26(3,15-25)16-28(18)24(29)17-9-10-20(23(11-17)30-4)21-14-27-22-8-6-5-7-19(21)22/h5-11,14,18,27H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50295066
PNG
((2S)-8-Methyl-2-{[4-(6-nitroquinolin-2-yl)piperazi...)
Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)[N+]([O-])=O)COc3ccc2n1 |r|
Show InChI InChI=1S/C26H25N5O4/c1-17-2-5-21-23(27-17)7-8-24-26(21)35-20(16-34-24)15-29-10-12-30(13-11-29)25-9-3-18-14-19(31(32)33)4-6-22(18)28-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1
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 0.25n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane

J Med Chem 52: 4955-9 (2009)


Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319774
PNG
((3-chloro-2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-tr...)
Show SMILES Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 |r|
Show InChI InChI=1S/C24H28ClNO/c1-16-7-5-6-8-19(16)17-9-10-20(21(25)11-17)22(27)26-15-24(4)13-18(26)12-23(2,3)14-24/h5-11,18H,12-15H2,1-4H3/t18-,24-/m1/s1
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 0.310n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
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 0.360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319788
PNG
(CHEMBL1084325 | N-(2'-methoxy-4'-((1S,5R)-1,3,3-tr...)
Show SMILES COc1cc(ccc1-c1cccc(NC(C)=O)c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H32N2O3/c1-17(29)27-20-8-6-7-18(11-20)22-10-9-19(12-23(22)31-5)24(30)28-16-26(4)14-21(28)13-25(2,3)15-26/h6-12,21H,13-16H2,1-5H3,(H,27,29)/t21-,26-/m1/s1
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 0.370n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
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 0.430n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319780
PNG
((2-chloro-5-methoxy-2'-methylbiphenyl-4-yl)((1S,5R...)
Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1ccccc1C |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-8-6-7-9-18(16)19-11-22(29-5)20(10-21(19)26)23(28)27-15-25(4)13-17(27)12-24(2,3)14-25/h6-11,17H,12-15H2,1-5H3/t17-,25-/m1/s1
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 0.540n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319782
PNG
((2-methoxy-2',6'-dimethylbiphenyl-4-yl)((1S,5R)-1,...)
Show SMILES COc1cc(ccc1-c1c(C)cccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r,wU:23.24,20.22,(7.58,-29.96,;8.94,-30.72,;10.28,-29.93,;10.27,-28.4,;11.6,-27.62,;12.94,-28.38,;12.94,-29.92,;11.61,-30.69,;11.62,-32.23,;10.29,-33,;8.96,-32.23,;10.29,-34.55,;11.62,-35.32,;12.96,-34.54,;12.95,-32.99,;14.29,-32.21,;11.59,-26.08,;10.26,-25.31,;12.92,-25.3,;13.87,-26.51,;15.41,-26.52,;16.03,-27.93,;14.61,-24.55,;13.28,-23.79,;14.67,-23.14,;16.05,-23.83,;16.45,-22.33,;17.54,-23.42,;16.39,-25.33,)|
Show InChI InChI=1S/C26H33NO2/c1-17-8-7-9-18(2)23(17)21-11-10-19(12-22(21)29-6)24(28)27-16-26(5)14-20(27)13-25(3,4)15-26/h7-12,20H,13-16H2,1-6H3/t20-,26-/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
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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 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
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319806
PNG
((3-methoxy-4-(quinolin-8-yl)phenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1cccc2cccnc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C27H30N2O2/c1-26(2)14-20-15-27(3,16-26)17-29(20)25(30)19-10-11-21(23(13-19)31-4)22-9-5-7-18-8-6-12-28-24(18)22/h5-13,20H,14-17H2,1-4H3/t20-,27-/m1/s1
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 0.710n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319797
PNG
((4-(benzo[b]thiophen-3-yl)-3-methoxyphenyl)((1S,5R...)
Show SMILES COc1cc(ccc1-c1csc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H29NO2S/c1-25(2)12-18-13-26(3,15-25)16-27(18)24(28)17-9-10-19(22(11-17)29-4)21-14-30-23-8-6-5-7-20(21)23/h5-11,14,18H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
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 0.790n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319792
PNG
((2-methoxy-4'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-t...)
Show SMILES COc1cc(ccc1-c1ccc(C)cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO2/c1-17-6-8-18(9-7-17)21-11-10-19(12-22(21)28-5)23(27)26-16-25(4)14-20(26)13-24(2,3)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50295064
PNG
((2S)-2-{[4-(6-Chloroquinolin-2-yl)piperazin-1-yl]m...)
Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Cl)ccc5n4)COc3ccc2n1 |r|
Show InChI InChI=1S/C26H25ClN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1
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 0.880n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane

J Med Chem 52: 4955-9 (2009)


Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D
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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 0.900n/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 52: 4955-9 (2009)


Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D
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
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319787
PNG
(2'-methoxy-N-methyl-4'-((1S,5R)-1,3,3-trimethyl-6-...)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1OC)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H32N2O3/c1-25(2)13-20-14-26(3,15-25)16-28(20)24(30)19-9-10-21(22(12-19)31-5)17-7-6-8-18(11-17)23(29)27-4/h6-12,20H,13-16H2,1-5H3,(H,27,29)/t20-,26-/m1/s1
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 1.03n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319803
PNG
((4-(2-chloro-1,2-pyridin-3-yl)-3-methoxyphenyl)((1...)
Show SMILES COc1cc(ccc1-c1cccnc1Cl)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C23H27ClN2O2/c1-22(2)11-16-12-23(3,13-22)14-26(16)21(27)15-7-8-17(19(10-15)28-4)18-6-5-9-25-20(18)24/h5-10,16H,11-14H2,1-4H3/t16-,23-/m1/s1
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 1.07n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50295055
PNG
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
Show InChI InChI=1S/C28H27N5O2/c1-19-3-6-23-25(30-19)8-9-26-28(23)35-22(18-34-26)17-32-11-2-12-33(14-13-32)27-10-5-21-15-20(16-29)4-7-24(21)31-27/h3-10,15,22H,2,11-14,17-18H2,1H3/t22-/m0/s1
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 1.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane

J Med Chem 52: 4955-9 (2009)


Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D
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
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
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50295054
PNG
((2S)-2-{[4-(6-Fluoroquinolin-2-yl)-1,4-diazepan-1-...)
Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r|
Show InChI InChI=1S/C27H27FN4O2/c1-18-3-6-22-24(29-18)8-9-25-27(22)34-21(17-33-25)16-31-11-2-12-32(14-13-31)26-10-4-19-15-20(28)5-7-23(19)30-26/h3-10,15,21H,2,11-14,16-17H2,1H3/t21-/m0/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 52: 4955-9 (2009)


Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D
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))		BDBM50295055
PNG
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)
Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
Show InChI InChI=1S/C28H27N5O2/c1-19-3-6-23-25(30-19)8-9-26-28(23)35-22(18-34-26)17-32-11-2-12-33(14-13-32)27-10-5-21-15-20(16-29)4-7-24(21)31-27/h3-10,15,22H,2,11-14,17-18H2,1H3/t22-/m0/s1
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 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 52: 4955-9 (2009)


Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D
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
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319791
PNG
((4'-chloro-2-methoxy-2'-methylbiphenyl-4-yl)((1S,5...)
Show SMILES COc1cc(ccc1-c1ccc(Cl)cc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-10-18(26)7-9-20(16)21-8-6-17(11-22(21)29-5)23(28)27-15-25(4)13-19(27)12-24(2,3)14-25/h6-11,19H,12-15H2,1-5H3/t19-,25-/m1/s1
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 2.26n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50295053
PNG
((S)-2-((4-(1H-Indol-3-yl)-5,6-dihydropyridin-1(2H)...)
Show SMILES Cc1ccc2c3O[C@@H](CN4CCC(=CC4)c4c[nH]c5ccccc45)COc3ccc2n1 |r,c:12|
Show InChI InChI=1S/C26H25N3O2/c1-17-6-7-21-24(28-17)8-9-25-26(21)31-19(16-30-25)15-29-12-10-18(11-13-29)22-14-27-23-5-3-2-4-20(22)23/h2-10,14,19,27H,11-13,15-16H2,1H3/t19-/m0/s1
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 2.34n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane

J Med Chem 52: 4955-9 (2009)


Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D
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
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319784
PNG
((2''-Methoxy-[1,1',2',1'']terphenyl-4''-yl)-((1S,5...)
Show SMILES COc1cc(ccc1-c1ccccc1-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H33NO2/c1-29(2)17-23-18-30(3,19-29)20-31(23)28(32)22-14-15-26(27(16-22)33-4)25-13-9-8-12-24(25)21-10-6-5-7-11-21/h5-16,23H,17-20H2,1-4H3/t23-,30-/m1/s1
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 2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
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))		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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 2.70n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane

J Med Chem 52: 4955-9 (2009)


Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319785
PNG
((5'-chloro-2-methoxy-2'-methylbiphenyl-4-yl)((1S,5...)
Show SMILES COc1cc(ccc1-c1cc(Cl)ccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-6-8-18(26)11-21(16)20-9-7-17(10-22(20)29-5)23(28)27-15-25(4)13-19(27)12-24(2,3)14-25/h6-11,19H,12-15H2,1-5H3/t19-,25-/m1/s1
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 2.75n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50295057
PNG
(2-((3R)-3-Methyl-4-{[(2S)-8-methyl-2,3-dihydro[1,4...)
Show SMILES C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N |r|
Show InChI InChI=1S/C28H27N5O2/c1-18-3-6-23-25(30-18)8-9-26-28(23)35-22(17-34-26)16-32-11-12-33(15-19(32)2)27-10-5-21-13-20(14-29)4-7-24(21)31-27/h3-10,13,19,22H,11-12,15-17H2,1-2H3/t19-,22+/m1/s1
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 2.80n/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 52: 4955-9 (2009)


Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D
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
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