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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50030078   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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0.140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290921
PNG
(4-(5,6,7,8-Tetrahydro-naphthalen-1-yl)-piperazine-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H37N5O2/c1-29-12-14-31(15-13-29)25-20-22(10-11-26(25)34-2)28-27(33)32-18-16-30(17-19-32)24-9-5-7-21-6-3-4-8-23(21)24/h5,7,9-11,20H,3-4,6,8,12-19H2,1-2H3,(H,28,33)
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50033447
PNG
(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-o-toly...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3
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0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290915
PNG
(4-(2,6-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-6-5-7-20(2)24(19)29-14-16-30(17-15-29)25(31)26-21-8-9-23(32-4)22(18-21)28-12-10-27(3)11-13-28/h5-9,18H,10-17H2,1-4H3,(H,26,31)
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290912
PNG
(4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-5-7-22(20(2)17-19)28-13-15-30(16-14-28)25(31)26-21-6-8-24(32-4)23(18-21)29-11-9-27(3)10-12-29/h5-8,17-18H,9-16H2,1-4H3,(H,26,31)
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50033447
PNG
(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-o-toly...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290914
PNG
(4-o-Tolyl-piperazine-1-carboxylic acid [4-methoxy-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2/c1-19-6-4-5-7-21(19)27-14-16-29(17-15-27)24(30)25-20-8-9-23(31-3)22(18-20)28-12-10-26(2)11-13-28/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290916
PNG
(4-o-Tolyl-piperazine-1-carboxylic acid 4-chloro-3-...)
Show SMILES CN1CCN(CC1)c1cc(OC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
Show InChI InChI=1S/C23H29ClN4O2/c1-18-5-3-4-6-21(18)26-13-15-28(16-14-26)23(29)30-19-7-8-20(24)22(17-19)27-11-9-25(2)10-12-27/h3-8,17H,9-16H2,1-2H3
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3.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50033447
PNG
(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-o-toly...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290918
PNG
(4-(3-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-9-11-28(12-10-26)22-17-19(7-8-23(22)32-3)25-24(30)29-15-13-27(14-16-29)20-5-4-6-21(18-20)31-2/h4-8,17-18H,9-16H2,1-3H3,(H,25,30)
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290919
PNG
(4-(4-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)32-3)25-24(30)29-16-14-27(15-17-29)20-5-7-21(31-2)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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8.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50084959
PNG
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)
Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290923
PNG
(2-[4-Chloro-3-(4-methyl-piperazin-1-yl)-phenoxy]-1...)
Show SMILES CN1CCN(CC1)c1cc(OCC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
Show InChI InChI=1S/C24H31ClN4O2/c1-19-5-3-4-6-22(19)27-13-15-29(16-14-27)24(30)18-31-20-7-8-21(25)23(17-20)28-11-9-26(2)10-12-28/h3-8,17H,9-16,18H2,1-2H3
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290922
PNG
(4-Phenyl-piperazine-1-carboxylic acid [4-methoxy-3...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H31N5O2/c1-25-10-12-27(13-11-25)21-18-19(8-9-22(21)30-2)24-23(29)28-16-14-26(15-17-28)20-6-4-3-5-7-20/h3-9,18H,10-17H2,1-2H3,(H,24,29)
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290921
PNG
(4-(5,6,7,8-Tetrahydro-naphthalen-1-yl)-piperazine-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H37N5O2/c1-29-12-14-31(15-13-29)25-20-22(10-11-26(25)34-2)28-27(33)32-18-16-30(17-19-32)24-9-5-7-21-6-3-4-8-23(21)24/h5,7,9-11,20H,3-4,6,8,12-19H2,1-2H3,(H,28,33)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290915
PNG
(4-(2,6-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-6-5-7-20(2)24(19)29-14-16-30(17-15-29)25(31)26-21-8-9-23(32-4)22(18-21)28-12-10-27(3)11-13-28/h5-9,18H,10-17H2,1-4H3,(H,26,31)
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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290913
PNG
(2-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenylami...)
Show SMILES COc1ccc(NCC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-20-6-4-5-7-22(20)28-14-16-30(17-15-28)25(31)19-26-21-8-9-24(32-3)23(18-21)29-12-10-27(2)11-13-29/h4-9,18,26H,10-17,19H2,1-3H3
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290914
PNG
(4-o-Tolyl-piperazine-1-carboxylic acid [4-methoxy-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2/c1-19-6-4-5-7-21(19)27-14-16-29(17-15-27)24(30)25-20-8-9-23(31-3)22(18-20)28-12-10-26(2)11-13-28/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290918
PNG
(4-(3-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-9-11-28(12-10-26)22-17-19(7-8-23(22)32-3)25-24(30)29-15-13-27(14-16-29)20-5-4-6-21(18-20)31-2/h4-8,17-18H,9-16H2,1-3H3,(H,25,30)
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70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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72n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290918
PNG
(4-(3-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-9-11-28(12-10-26)22-17-19(7-8-23(22)32-3)25-24(30)29-15-13-27(14-16-29)20-5-4-6-21(18-20)31-2/h4-8,17-18H,9-16H2,1-3H3,(H,25,30)
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290912
PNG
(4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-5-7-22(20(2)17-19)28-13-15-30(16-14-28)25(31)26-21-6-8-24(32-4)23(18-21)29-11-9-27(3)10-12-29/h5-8,17-18H,9-16H2,1-4H3,(H,26,31)
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88n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290916
PNG
(4-o-Tolyl-piperazine-1-carboxylic acid 4-chloro-3-...)
Show SMILES CN1CCN(CC1)c1cc(OC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
Show InChI InChI=1S/C23H29ClN4O2/c1-18-5-3-4-6-21(18)26-13-15-28(16-14-26)23(29)30-19-7-8-20(24)22(17-19)27-11-9-25(2)10-12-27/h3-8,17H,9-16H2,1-2H3
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290919
PNG
(4-(4-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)32-3)25-24(30)29-16-14-27(15-17-29)20-5-7-21(31-2)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290923
PNG
(2-[4-Chloro-3-(4-methyl-piperazin-1-yl)-phenoxy]-1...)
Show SMILES CN1CCN(CC1)c1cc(OCC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
Show InChI InChI=1S/C24H31ClN4O2/c1-19-5-3-4-6-22(19)27-13-15-29(16-14-27)24(30)18-31-20-7-8-21(25)23(17-20)28-11-9-26(2)10-12-28/h3-8,17H,9-16,18H2,1-2H3
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290921
PNG
(4-(5,6,7,8-Tetrahydro-naphthalen-1-yl)-piperazine-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H37N5O2/c1-29-12-14-31(15-13-29)25-20-22(10-11-26(25)34-2)28-27(33)32-18-16-30(17-19-32)24-9-5-7-21-6-3-4-8-23(21)24/h5,7,9-11,20H,3-4,6,8,12-19H2,1-2H3,(H,28,33)
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257n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50084959
PNG
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)
Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
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260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290922
PNG
(4-Phenyl-piperazine-1-carboxylic acid [4-methoxy-3...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H31N5O2/c1-25-10-12-27(13-11-25)21-18-19(8-9-22(21)30-2)24-23(29)28-16-14-26(15-17-28)20-6-4-3-5-7-20/h3-9,18H,10-17H2,1-2H3,(H,24,29)
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340n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290914
PNG
(4-o-Tolyl-piperazine-1-carboxylic acid [4-methoxy-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O2/c1-19-6-4-5-7-21(19)27-14-16-29(17-15-27)24(30)25-20-8-9-23(31-3)22(18-20)28-12-10-26(2)11-13-28/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290915
PNG
(4-(2,6-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-6-5-7-20(2)24(19)29-14-16-30(17-15-29)25(31)26-21-8-9-23(32-4)22(18-21)28-12-10-27(3)11-13-28/h5-9,18H,10-17H2,1-4H3,(H,26,31)
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393n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290922
PNG
(4-Phenyl-piperazine-1-carboxylic acid [4-methoxy-3...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H31N5O2/c1-25-10-12-27(13-11-25)21-18-19(8-9-22(21)30-2)24-23(29)28-16-14-26(15-17-28)20-6-4-3-5-7-20/h3-9,18H,10-17H2,1-2H3,(H,24,29)
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450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290912
PNG
(4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-5-7-22(20(2)17-19)28-13-15-30(16-14-28)25(31)26-21-6-8-24(32-4)23(18-21)29-11-9-27(3)10-12-29/h5-8,17-18H,9-16H2,1-4H3,(H,26,31)
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571n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50173098
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290916
PNG
(4-o-Tolyl-piperazine-1-carboxylic acid 4-chloro-3-...)
Show SMILES CN1CCN(CC1)c1cc(OC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
Show InChI InChI=1S/C23H29ClN4O2/c1-18-5-3-4-6-21(18)26-13-15-28(16-14-26)23(29)30-19-7-8-20(24)22(17-19)27-11-9-25(2)10-12-27/h3-8,17H,9-16H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50084959
PNG
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)
Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290923
PNG
(2-[4-Chloro-3-(4-methyl-piperazin-1-yl)-phenoxy]-1...)
Show SMILES CN1CCN(CC1)c1cc(OCC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
Show InChI InChI=1S/C24H31ClN4O2/c1-19-5-3-4-6-22(19)27-13-15-29(16-14-27)24(30)18-31-20-7-8-21(25)23(17-20)28-11-9-26(2)10-12-28/h3-8,17H,9-16,18H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290919
PNG
(4-(4-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)32-3)25-24(30)29-16-14-27(15-17-29)20-5-7-21(31-2)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290913
PNG
(2-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenylami...)
Show SMILES COc1ccc(NCC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-20-6-4-5-7-22(20)28-14-16-30(17-15-28)25(31)19-26-21-8-9-24(32-3)23(18-21)29-12-10-27(2)11-13-29/h4-9,18,26H,10-17,19H2,1-3H3
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290913
PNG
(2-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenylami...)
Show SMILES COc1ccc(NCC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-20-6-4-5-7-22(20)28-14-16-30(17-15-28)25(31)19-26-21-8-9-24(32-3)23(18-21)29-12-10-27(2)11-13-29/h4-9,18,26H,10-17,19H2,1-3H3
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4.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50033447
PNG
(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-o-toly...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3
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n/an/an/an/a 2.10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290912
PNG
(4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-5-7-22(20(2)17-19)28-13-15-30(16-14-28)25(31)26-21-6-8-24(32-4)23(18-21)29-11-9-27(3)10-12-29/h5-8,17-18H,9-16H2,1-4H3,(H,26,31)
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n/an/an/an/a 1.90n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor; full agonist


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50290915
PNG
(4-(2,6-Dimethyl-phenyl)-piperazine-1-carboxylic ac...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C25H35N5O2/c1-19-6-5-7-20(2)24(19)29-14-16-30(17-15-29)25(31)26-21-8-9-23(32-4)22(18-21)28-12-10-27(3)11-13-28/h5-9,18H,10-17H2,1-4H3,(H,26,31)
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n/an/an/an/a 10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair