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Compile Data Set for Download or QSAR

Found 5879 hits with Last Name = 'harrington' and Initial = 'p'   
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
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)
BDBM50280415
PNG
((R)-2-{4-[3-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-p...)
Show SMILES Nc1nc2NCC(CCCc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C22H27N5O6/c23-22-26-18-15(20(31)27-22)10-13(11-24-18)3-1-2-12-4-6-14(7-5-12)19(30)25-16(21(32)33)8-9-17(28)29/h4-7,13,16H,1-3,8-11H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)
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0.0000190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against glycinamide ribonucleotide formyltransferase (GARFT) from L1210 murine leukemic cells


Bioorg Med Chem Lett 2: 339-342 (1992)


Article DOI: 10.1016/S0960-894X(01)80214-6
BindingDB Entry DOI: 10.7270/Q2RF5TXV
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)
BDBM22590
PNG
((2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8...)
Show SMILES Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1
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0.000120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against glycinamide ribonucleotide formyltransferase (GARFT) from L1210 murine leukemic cells


Bioorg Med Chem Lett 2: 339-342 (1992)


Article DOI: 10.1016/S0960-894X(01)80214-6
BindingDB Entry DOI: 10.7270/Q2RF5TXV
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)
BDBM50280414
PNG
((R)-2-[4-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyri...)
Show SMILES Nc1nc2NCC(Cc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C20H23N5O6/c21-20-24-16-13(18(29)25-20)8-11(9-22-16)7-10-1-3-12(4-2-10)17(28)23-14(19(30)31)5-6-15(26)27/h1-4,11,14H,5-9H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)
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0.000630n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against glycinamide ribonucleotide formyltransferase (GARFT) from L1210 murine leukemic cells


Bioorg Med Chem Lett 2: 339-342 (1992)


Article DOI: 10.1016/S0960-894X(01)80214-6
BindingDB Entry DOI: 10.7270/Q2RF5TXV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475186
PNG
(CHEMBL190298)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
Show InChI InChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412120
PNG
(CHEMBL425190 | SB-714786)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412114
PNG
(CHEMBL183460 | SB-649915)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475187
PNG
(CHEMBL191895)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1
Show InChI InChI=1S/C23H28N4O2/c1-17-5-7-19-21(25-17)3-2-4-23(19)29-14-13-26-9-11-27(12-10-26)16-18-6-8-22(28)20(24)15-18/h2-8,15,28H,9-14,16,24H2,1H3
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475178
PNG
(CHEMBL191605)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C24H28N4O3/c1-18-6-8-20(16-23(18)28(29)30)17-27-12-10-26(11-13-27)14-15-31-24-5-3-4-22-21(24)9-7-19(2)25-22/h3-9,16H,10-15,17H2,1-2H3
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412114
PNG
(CHEMBL183460 | SB-649915)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475179
PNG
(CHEMBL191921)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-25(28-20)8-3-9-26(23)31-18-17-29-13-15-30(16-14-29)19-21-5-2-7-24-22(21)6-4-12-27-24/h2-12H,13-19H2,1H3
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475182
PNG
(CHEMBL362992)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Show InChI InChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475184
PNG
(CHEMBL2113061)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-5-7-22-24(27-19)3-2-4-25(22)30-16-15-28-11-13-29(14-12-28)18-20-6-8-23-21(17-20)9-10-26-23/h2-10,17,26H,11-16,18H2,1H3
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475180
PNG
(CHEMBL190190)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475176
PNG
(CHEMBL363413)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1
Show InChI InChI=1S/C23H25Cl2N3O/c1-17-5-7-20-22(26-17)3-2-4-23(20)29-14-13-27-9-11-28(12-10-27)16-18-15-19(24)6-8-21(18)25/h2-8,15H,9-14,16H2,1H3
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50412114
PNG
(CHEMBL183460 | SB-649915)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475177
PNG
(CHEMBL364495)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25ClN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475185
PNG
(CHEMBL192536)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25FN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412114
PNG
(CHEMBL183460 | SB-649915)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475188
PNG
(CHEMBL365810)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H26N4O4/c1-17-5-7-19-20(24-17)3-2-4-23(19)31-14-13-25-9-11-26(12-10-25)16-18-6-8-22(28)21(15-18)27(29)30/h2-8,15,28H,9-14,16H2,1H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475190
PNG
(CHEMBL192176)
Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475189
PNG
(CHEMBL193268)
Show SMILES COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H28N4O4/c1-18-6-8-20-21(25-18)4-3-5-23(20)32-15-14-26-10-12-27(13-11-26)17-19-7-9-24(31-2)22(16-19)28(29)30/h3-9,16H,10-15,17H2,1-2H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475190
PNG
(CHEMBL192176)
Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475178
PNG
(CHEMBL191605)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C24H28N4O3/c1-18-6-8-20(16-23(18)28(29)30)17-27-12-10-26(11-13-27)14-15-31-24-5-3-4-22-21(24)9-7-19(2)25-22/h3-9,16H,10-15,17H2,1-2H3
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475178
PNG
(CHEMBL191605)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C24H28N4O3/c1-18-6-8-20(16-23(18)28(29)30)17-27-12-10-26(11-13-27)14-15-31-24-5-3-4-22-21(24)9-7-19(2)25-22/h3-9,16H,10-15,17H2,1-2H3
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475186
PNG
(CHEMBL190298)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
Show InChI InChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475190
PNG
(CHEMBL192176)
Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475177
PNG
(CHEMBL364495)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25ClN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475178
PNG
(CHEMBL191605)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C24H28N4O3/c1-18-6-8-20(16-23(18)28(29)30)17-27-12-10-26(11-13-27)14-15-31-24-5-3-4-22-21(24)9-7-19(2)25-22/h3-9,16H,10-15,17H2,1-2H3
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475176
PNG
(CHEMBL363413)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1
Show InChI InChI=1S/C23H25Cl2N3O/c1-17-5-7-20-22(26-17)3-2-4-23(20)29-14-13-27-9-11-28(12-10-27)16-18-15-19(24)6-8-21(18)25/h2-8,15H,9-14,16H2,1H3
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475190
PNG
(CHEMBL192176)
Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475186
PNG
(CHEMBL190298)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
Show InChI InChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475184
PNG
(CHEMBL2113061)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-5-7-22-24(27-19)3-2-4-25(22)30-16-15-28-11-13-29(14-12-28)18-20-6-8-23-21(17-20)9-10-26-23/h2-10,17,26H,11-16,18H2,1H3
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412120
PNG
(CHEMBL425190 | SB-714786)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475177
PNG
(CHEMBL364495)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25ClN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475177
PNG
(CHEMBL364495)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25ClN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475179
PNG
(CHEMBL191921)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-25(28-20)8-3-9-26(23)31-18-17-29-13-15-30(16-14-29)19-21-5-2-7-24-22(21)6-4-12-27-24/h2-12H,13-19H2,1H3
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475187
PNG
(CHEMBL191895)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1
Show InChI InChI=1S/C23H28N4O2/c1-17-5-7-19-21(25-17)3-2-4-23(19)29-14-13-26-9-11-27(12-10-26)16-18-6-8-22(28)20(24)15-18/h2-8,15,28H,9-14,16,24H2,1H3
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475185
PNG
(CHEMBL192536)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25FN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475185
PNG
(CHEMBL192536)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25FN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412120
PNG
(CHEMBL425190 | SB-714786)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475182
PNG
(CHEMBL362992)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Show InChI InChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475189
PNG
(CHEMBL193268)
Show SMILES COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H28N4O4/c1-18-6-8-20-21(25-18)4-3-5-23(20)32-15-14-26-10-12-27(13-11-26)17-19-7-9-24(31-2)22(16-19)28(29)30/h3-9,16H,10-15,17H2,1-2H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50412120
PNG
(CHEMBL425190 | SB-714786)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475188
PNG
(CHEMBL365810)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H26N4O4/c1-17-5-7-19-20(24-17)3-2-4-23(19)31-14-13-25-9-11-26(12-10-25)16-18-6-8-22(28)21(15-18)27(29)30/h2-8,15,28H,9-14,16H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475179
PNG
(CHEMBL191921)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-25(28-20)8-3-9-26(23)31-18-17-29-13-15-30(16-14-29)19-21-5-2-7-24-22(21)6-4-12-27-24/h2-12H,13-19H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475182
PNG
(CHEMBL362992)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Show InChI InChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475180
PNG
(CHEMBL190190)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475180
PNG
(CHEMBL190190)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475180
PNG
(CHEMBL190190)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475189
PNG
(CHEMBL193268)
Show SMILES COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H28N4O4/c1-18-6-8-20-21(25-18)4-3-5-23(20)32-15-14-26-10-12-27(13-11-26)17-19-7-9-24(31-2)22(16-19)28(29)30/h3-9,16H,10-15,17H2,1-2H3
PDB

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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
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