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Compile Data Set for Download or QSAR

Found 393 hits with Last Name = 'soudijn' and Initial = 'w'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020178
PNG
(CHEMBL294633 | CHEMBL555633 | N-[2-(4-Benzofuran-7...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C21H22FN3O2/c22-18-6-4-17(5-7-18)21(26)23-9-10-24-11-13-25(14-12-24)19-3-1-2-16-8-15-27-20(16)19/h1-8,15H,9-14H2,(H,23,26)
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0.150n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039829
PNG
(CHEMBL92242 | Cyclohexanecarboxylic acid [2-(4-ben...)
Show SMILES O=C(NCCN1CCN(CC1)c1cccc2ccoc12)C1CCCCC1
Show InChI InChI=1S/C21H29N3O2/c25-21(18-5-2-1-3-6-18)22-10-11-23-12-14-24(15-13-23)19-8-4-7-17-9-16-26-20(17)19/h4,7-9,16,18H,1-3,5-6,10-15H2,(H,22,25)
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0.200n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50403670
PNG
(CHEMBL311015)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3OCCOc23)C(=O)c2ccccc12
Show InChI InChI=1S/C24H27N3O4/c28-23-18-6-1-2-7-19(18)24(29)27(23)11-4-3-10-25-12-14-26(15-13-25)20-8-5-9-21-22(20)31-17-16-30-21/h1-2,5-9H,3-4,10-17H2
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0.229n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039822
PNG
(1-(2-Cyclohexyl-ethyl)-4-(2,3-dihydro-benzo[1,4]di...)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCCCC1
Show InChI InChI=1S/C20H30N2O2/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19/h4,7-8,17H,1-3,5-6,9-16H2
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0.25n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039822
PNG
(1-(2-Cyclohexyl-ethyl)-4-(2,3-dihydro-benzo[1,4]di...)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCCCC1
Show InChI InChI=1S/C20H30N2O2/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19/h4,7-8,17H,1-3,5-6,9-16H2
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0.25n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50403668
PNG
(CHEMBL312339)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3OCCOc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C23H27N3O5S/c27-23-18-6-1-2-9-21(18)32(28,29)26(23)11-4-3-10-24-12-14-25(15-13-24)19-7-5-8-20-22(19)31-17-16-30-20/h1-2,5-9H,3-4,10-17H2
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0.288n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50039824
PNG
(CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)
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0.295n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039824
PNG
(CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)
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0.300n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039818
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-...)
Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H28N2O2/c1-2-7-19(8-3-1)9-4-5-12-23-13-15-24(16-14-23)20-10-6-11-21-22(20)26-18-17-25-21/h1-3,6-8,10-11H,4-5,9,12-18H2
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0.320n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50039818
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-...)
Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H28N2O2/c1-2-7-19(8-3-1)9-4-5-12-23-13-15-24(16-14-23)20-10-6-11-21-22(20)26-18-17-25-21/h1-3,6-8,10-11H,4-5,9,12-18H2
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0.324n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039798
PNG
(1-Benzofuran-7-yl-4-phenethyl-piperazine; hydrochl...)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C20H22N2O/c1-2-5-17(6-3-1)9-11-21-12-14-22(15-13-21)19-8-4-7-18-10-16-23-20(18)19/h1-8,10,16H,9,11-15H2
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0.370n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039821
PNG
(CHEMBL93421 | Cyclohexanecarboxylic acid {2-[4-(2,...)
Show SMILES O=C(NCCN1CCN(CC1)c1cccc2OCCOc12)C1CCCCC1
Show InChI InChI=1S/C21H31N3O3/c25-21(17-5-2-1-3-6-17)22-9-10-23-11-13-24(14-12-23)18-7-4-8-19-20(18)27-16-15-26-19/h4,7-8,17H,1-3,5-6,9-16H2,(H,22,25)
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0.440n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039810
PNG
(1-Benzofuran-7-yl-4-(2-phenoxy-ethyl)-piperazine; ...)
Show SMILES C(CN1CCN(CC1)c1cccc2ccoc12)Oc1ccccc1
Show InChI InChI=1S/C20H22N2O2/c1-2-6-18(7-3-1)23-16-14-21-10-12-22(13-11-21)19-8-4-5-17-9-15-24-20(17)19/h1-9,15H,10-14,16H2
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0.460n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039800
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-phenethyl-...)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C20H24N2O2/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19/h1-8H,9-16H2
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0.470n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039819
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-hexyl-pipe...)
Show SMILES CCCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C18H28N2O2/c1-2-3-4-5-9-19-10-12-20(13-11-19)16-7-6-8-17-18(16)22-15-14-21-17/h6-8H,2-5,9-15H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039819
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-hexyl-pipe...)
Show SMILES CCCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C18H28N2O2/c1-2-3-4-5-9-19-10-12-20(13-11-19)16-7-6-8-17-18(16)22-15-14-21-17/h6-8H,2-5,9-15H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
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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0.501n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes.


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020969
PNG
(1,3-Dimethyl-8-p-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-4-6-9(7-5-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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0.510n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039805
PNG
(1-Benzofuran-7-yl-4-hexyl-piperazine | CHEMBL27558)
Show SMILES CCCCCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C18H26N2O/c1-2-3-4-5-10-19-11-13-20(14-12-19)17-8-6-7-16-9-15-21-18(16)17/h6-9,15H,2-5,10-14H2,1H3
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0.540n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039805
PNG
(1-Benzofuran-7-yl-4-hexyl-piperazine | CHEMBL27558)
Show SMILES CCCCCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C18H26N2O/c1-2-3-4-5-10-19-11-13-20(14-12-19)17-8-6-7-16-9-15-21-18(16)17/h6-9,15H,2-5,10-14H2,1H3
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0.540n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039796
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-octyl-pipe...)
Show SMILES CCCCCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C20H32N2O2/c1-2-3-4-5-6-7-11-21-12-14-22(15-13-21)18-9-8-10-19-20(18)24-17-16-23-19/h8-10H,2-7,11-17H2,1H3
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0.610n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039796
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-octyl-pipe...)
Show SMILES CCCCCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C20H32N2O2/c1-2-3-4-5-6-7-11-21-12-14-22(15-13-21)18-9-8-10-19-20(18)24-17-16-23-19/h8-10H,2-7,11-17H2,1H3
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0.610n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.620n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020965
PNG
(8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-4-6-9(21-3)7-5-8/h4-7H,1-3H3,(H,15,16)
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0.630n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020988
PNG
(8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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0.650n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039814
PNG
(4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c25-20(18-6-2-1-3-7-18)9-5-11-23-12-14-24(15-13-23)19-8-4-10-21-22(19)27-17-16-26-21/h1-4,6-8,10H,5,9,11-17H2
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0.670n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50039814
PNG
(4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c25-20(18-6-2-1-3-7-18)9-5-11-23-12-14-24(15-13-23)19-8-4-10-21-22(19)27-17-16-26-21/h1-4,6-8,10H,5,9,11-17H2
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0.676n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


J Med Chem 35: 1042-9 (1992)


Article DOI: 10.1021/jm00084a009
BindingDB Entry DOI: 10.7270/Q2HT2N8R
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
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0.708n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039807
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(2-phenoxy...)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)Oc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c1-2-5-17(6-3-1)23-14-13-21-9-11-22(12-10-21)18-7-4-8-19-20(18)25-16-15-24-19/h1-8H,9-16H2
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0.730n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039795
PNG
(1-Benzofuran-7-yl-4-pentyl-piperazine | CHEMBL2683...)
Show SMILES CCCCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C17H24N2O/c1-2-3-4-9-18-10-12-19(13-11-18)16-7-5-6-15-8-14-20-17(15)16/h5-8,14H,2-4,9-13H2,1H3
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0.810n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039795
PNG
(1-Benzofuran-7-yl-4-pentyl-piperazine | CHEMBL2683...)
Show SMILES CCCCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C17H24N2O/c1-2-3-4-9-18-10-12-19(13-11-18)16-7-5-6-15-8-14-20-17(15)16/h5-8,14H,2-4,9-13H2,1H3
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0.810n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039802
PNG
(1-Benzofuran-7-yl-4-(3-phenoxy-propyl)-piperazine;...)
Show SMILES C(COc1ccccc1)CN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C21H24N2O2/c1-2-7-19(8-3-1)24-16-5-11-22-12-14-23(15-13-22)20-9-4-6-18-10-17-25-21(18)20/h1-4,6-10,17H,5,11-16H2
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0.850n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039827
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(3-phenoxy...)
Show SMILES C(COc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H26N2O3/c1-2-6-18(7-3-1)24-15-5-10-22-11-13-23(14-12-22)19-8-4-9-20-21(19)26-17-16-25-20/h1-4,6-9H,5,10-17H2
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0.950n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039826
PNG
(1-Decyl-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-pipe...)
Show SMILES CCCCCCCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H36N2O2/c1-2-3-4-5-6-7-8-9-13-23-14-16-24(17-15-23)20-11-10-12-21-22(20)26-19-18-25-21/h10-12H,2-9,13-19H2,1H3
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1n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50216215
PNG
(CHEMBL81095)
Show SMILES Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C23H28FN3O3/c24-19-8-6-18(7-9-19)23(28)25-10-1-2-11-26-12-14-27(15-13-26)20-4-3-5-21-22(20)30-17-16-29-21/h3-9H,1-2,10-17H2,(H,25,28)
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1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039826
PNG
(1-Decyl-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-pipe...)
Show SMILES CCCCCCCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H36N2O2/c1-2-3-4-5-6-7-8-9-13-23-14-16-24(17-15-23)20-11-10-12-21-22(20)26-19-18-25-21/h10-12H,2-9,13-19H2,1H3
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1n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020180
PNG
(4-(4-Benzofuran-7-yl-piperazin-1-yl)-1-(4-fluoro-p...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)21(26)5-2-11-24-12-14-25(15-13-24)20-4-1-3-18-10-16-27-22(18)20/h1,3-4,6-10,16H,2,5,11-15H2
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1n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50216214
PNG
(CHEMBL311976)
Show SMILES O=C1N(CCN2CCN(CC2)c2cccc3OCCOc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H23N3O5S/c25-21-16-4-1-2-7-19(16)30(26,27)24(21)13-10-22-8-11-23(12-9-22)17-5-3-6-18-20(17)29-15-14-28-18/h1-7H,8-15H2
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1.20n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes (experiment 2)


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50039811
PNG
(4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H25FN2O3/c23-18-8-6-17(7-9-18)20(26)4-2-10-24-11-13-25(14-12-24)19-3-1-5-21-22(19)28-16-15-27-21/h1,3,5-9H,2,4,10-16H2
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1.30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes (experiment 1)


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039811
PNG
(4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H25FN2O3/c23-18-8-6-17(7-9-18)20(26)4-2-10-24-11-13-25(14-12-24)19-3-1-5-21-22(19)28-16-15-27-21/h1,3,5-9H,2,4,10-16H2
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1.40n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50008387
PNG
(CHEMBL19768 | Cyclopentyl-(2-phenyl-1H-imidazo[4,5...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4/c1-2-8-14(9-3-1)20-24-18-16-12-6-7-13-17(16)23-21(19(18)25-20)22-15-10-4-5-11-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,22,23)(H,24,25)
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1.5n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039832
PNG
(1-Benzofuran-7-yl-4-octyl-piperazine | CHEMBL26988)
Show SMILES CCCCCCCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C20H30N2O/c1-2-3-4-5-6-7-12-21-13-15-22(16-14-21)19-10-8-9-18-11-17-23-20(18)19/h8-11,17H,2-7,12-16H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039832
PNG
(1-Benzofuran-7-yl-4-octyl-piperazine | CHEMBL26988)
Show SMILES CCCCCCCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C20H30N2O/c1-2-3-4-5-6-7-12-21-13-15-22(16-14-21)19-10-8-9-18-11-17-23-20(18)19/h8-11,17H,2-7,12-16H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50454759
PNG
(FLESINOXAN | Flesinoxan)
Show SMILES OC[C@H]1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes


Bioorg Med Chem Lett 8: 2457-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00406-5
BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021011
PNG
(8-(4-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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1.80n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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2n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039806
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-pentyl-pip...)
Show SMILES CCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C17H26N2O2/c1-2-3-4-8-18-9-11-19(12-10-18)15-6-5-7-16-17(15)21-14-13-20-16/h5-7H,2-4,8-14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...


J Med Chem 37: 2761-73 (1994)


Article DOI: 10.1021/jm00043a015
BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039806
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-pentyl-pip...)
Show SMILES CCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C17H26N2O2/c1-2-3-4-8-18-9-11-19(12-10-18)15-6-5-7-16-17(15)21-14-13-20-16/h5-7H,2-4,8-14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020984
PNG
(8-(3-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(F)c1
Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-4-3-5-8(14)6-7/h3-6H,1-2H3,(H,15,16)
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2.40n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
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