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Compile Data Set for Download or QSAR

Found 554 hits with Last Name = 'monge' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118337
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-ben...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C24H28N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17,21,27H,4,9-16H2
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1.90n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118332
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-6-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2ncccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(21-17-29-24-6-2-1-5-20(21)24)9-11-26-12-14-27(15-13-26)19-7-8-22-18(16-19)4-3-10-25-22/h1-8,10,16-17,23,28H,9,11-15H2
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2.20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118336
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2
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2.70n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118327
PNG
(3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H27FN2O3S/c25-17-5-6-23-18(15-17)19(16-31-23)21(28)7-8-26-9-11-27(12-10-26)20-3-1-4-22-24(20)30-14-2-13-29-22/h1,3-6,15-16,21,28H,2,7-14H2
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3n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118338
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(benzo[b]thiophen-5...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2sccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C23H24N2OS2/c26-21(20-16-28-23-4-2-1-3-19(20)23)7-9-24-10-12-25(13-11-24)18-5-6-22-17(15-18)8-14-27-22/h1-6,8,14-16,21,26H,7,9-13H2
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3.20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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3.80n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex


J Med Chem 36: 2745-50 (1993)


BindingDB Entry DOI: 10.7270/Q2FX7B2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118328
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(1H-indol-4-yl)-piper...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccccc12
Show InChI InChI=1S/C23H25N3OS/c27-22(19-16-28-23-7-2-1-4-17(19)23)9-11-25-12-14-26(15-13-25)21-6-3-5-20-18(21)8-10-24-20/h1-8,10,16,22,24,27H,9,11-15H2
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4.10n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118339
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-3-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cnc2ccccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(21-17-29-24-8-4-2-6-20(21)24)9-10-26-11-13-27(14-12-26)19-15-18-5-1-3-7-22(18)25-16-19/h1-8,15-17,23,28H,9-14H2
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4.20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102331
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H26N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14H,8-13H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118328
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(1H-indol-4-yl)-piper...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccccc12
Show InChI InChI=1S/C23H25N3OS/c27-22(19-16-28-23-7-2-1-4-17(19)23)9-11-25-12-14-26(15-13-25)21-6-3-5-20-18(21)8-10-24-20/h1-8,10,16,22,24,27H,9,11-15H2
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5.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118326
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(2,3-dihydro-benzo[1,...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C23H26N2O3S/c26-20(18-16-29-22-7-2-1-4-17(18)22)8-9-24-10-12-25(13-11-24)19-5-3-6-21-23(19)28-15-14-27-21/h1-7,16,20,26H,8-15H2
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5.70n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118330
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-[4-(1H-indol-...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H24FN3OS/c24-16-4-5-23-18(14-16)19(15-29-23)22(28)7-9-26-10-12-27(13-11-26)21-3-1-2-20-17(21)6-8-25-20/h1-6,8,14-15,22,25,28H,7,9-13H2
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5.90n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118335
PNG
(3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2
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6n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118324
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-22(20-17-29-23-9-2-1-7-19(20)23)10-12-26-13-15-27(16-14-26)21-8-3-5-18-6-4-11-25-24(18)21/h1-9,11,17,22,28H,10,12-16H2
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6.30n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118329
PNG
(1-Benzo[b]thiophen-3-yl-3-(4-quinolin-2-yl-piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2ccccc2n1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-22(20-17-29-23-8-4-2-6-19(20)23)11-12-26-13-15-27(16-14-26)24-10-9-18-5-1-3-7-21(18)25-24/h1-10,17,22,28H,11-16H2
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6.40n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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6.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex


J Med Chem 36: 2745-50 (1993)


BindingDB Entry DOI: 10.7270/Q2FX7B2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102377
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H23N3O2S/c1-23-18-5-3-2-4-17(18)21-11-9-20(10-12-21)8-6-16(19-22)15-7-13-24-14-15/h2-5,7,13-14,16H,6,8-12H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118330
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-[4-(1H-indol-...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H24FN3OS/c24-16-4-5-23-18(14-16)19(15-29-23)22(28)7-9-26-10-12-27(13-11-26)21-3-1-2-20-17(21)6-8-25-20/h1-6,8,14-15,22,25,28H,7,9-13H2
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7.30n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118336
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2
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7.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102352
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-hydroxy-phe...)
Show SMILES Cc1cc(C(=O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
Show InChI InChI=1S/C19H24N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,23H,7-12H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50045582
PNG
(3-(4-Allyl-piperazin-1-yl)-quinoxaline-2-carbonitr...)
Show SMILES C=CCN1CCN(CC1)c1nc2ccccc2nc1C#N
Show InChI InChI=1S/C16H17N5/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16/h2-6H,1,7-11H2
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8n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex


J Med Chem 36: 2745-50 (1993)


BindingDB Entry DOI: 10.7270/Q2FX7B2N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118331
PNG
(3-(4-Benzo[1,3]dioxol-4-yl-piperazin-1-yl)-1-(5-fl...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C22H23FN2O3S/c23-15-4-5-21-16(12-15)17(13-29-21)19(26)6-7-24-8-10-25(11-9-24)18-2-1-3-20-22(18)28-14-27-20/h1-5,12-13,19,26H,6-11,14H2
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9.40n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118325
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(1,2-dihydro-quinolin...)
Show SMILES OC(CCN1CCN(CC1)C1Nc2ccccc2C=C1)c1csc2ccccc12 |c:20|
Show InChI InChI=1S/C24H27N3OS/c28-22(20-17-29-23-8-4-2-6-19(20)23)11-12-26-13-15-27(16-14-26)24-10-9-18-5-1-3-7-21(18)25-24/h1-10,17,22,24-25,28H,11-16H2
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9.90n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102333
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(4-nitroph...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H25N3O4/c1-27-20-5-3-2-4-18(20)22-14-12-21(13-15-22)11-10-19(24)16-6-8-17(9-7-16)23(25)26/h2-9,19,24H,10-15H2,1H3
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10n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102364
PNG
(3-(4-(4-chlorophenyl)piperazin-1-yl)-1-(naphthalen...)
Show SMILES OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H25ClN2O/c24-21-7-9-22(10-8-21)26-15-13-25(14-16-26)12-11-23(27)20-6-5-18-3-1-2-4-19(18)17-20/h1-10,17,23,27H,11-16H2
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10n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102371
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2cccs2)CC1
Show InChI InChI=1S/C18H22N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14H,8-13H2,1H3
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10n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118325
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(1,2-dihydro-quinolin...)
Show SMILES OC(CCN1CCN(CC1)C1Nc2ccccc2C=C1)c1csc2ccccc12 |c:20|
Show InChI InChI=1S/C24H27N3OS/c28-22(20-17-29-23-8-4-2-6-19(20)23)11-12-26-13-15-27(16-14-26)24-10-9-18-5-1-3-7-21(18)25-24/h1-10,17,22,24-25,28H,11-16H2
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10.2n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102412
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H28N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14,19,23H,8-13H2,1-3H3
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12n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102362
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(4-fluoro-2-methoxy-p...)
Show SMILES COc1cc(F)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H25FN2O2S/c1-27-21-14-16(23)6-7-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-5-3-2-4-17(18)22/h2-7,14-15,20,26H,8-13H2,1H3
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12n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102386
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(4-fluoro-2-me...)
Show SMILES COc1cc(F)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H25FN2O2S/c1-14-12-17(15(2)26-14)19(24)6-7-22-8-10-23(11-9-22)18-5-4-16(21)13-20(18)25-3/h4-5,12-13H,6-11H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118335
PNG
(3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2
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16n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102337
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H22N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14H,6,8-12H2,1H3
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16n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102374
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-phenylprop...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-25-20-10-6-5-9-19(20)23-15-13-22(14-16-23)12-11-18(21-24)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
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17.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102350
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(5-methylt...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C19H24N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8H,9-14H2,1-2H3
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17.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102330
PNG
(2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
Show InChI InChI=1S/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
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18n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102355
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1
Show InChI InChI=1S/C18H24N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14,16,21H,8-13H2,1H3
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19n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118333
PNG
(1-Benzo[b]thiophen-3-yl-3-(4-quinolin-4-yl-piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1ccnc2ccccc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(20-17-29-24-8-4-2-5-18(20)24)10-12-26-13-15-27(16-14-26)22-9-11-25-21-7-3-1-6-19(21)22/h1-9,11,17,23,28H,10,12-16H2
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19.4n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102380
PNG
(1-(3-(benzo[d][1,3]dioxol-5-yloxy)-3-phenylpropyl)...)
Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O4/c1-30-25-10-6-5-9-23(25)29-17-15-28(16-18-29)14-13-24(21-7-3-2-4-8-21)33-22-11-12-26-27(19-22)32-20-31-26/h2-12,19,24H,13-18,20H2,1H3
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20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102359
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(2-methoxyphenyl)pi...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H26N2O2S/c1-26-21-8-4-3-7-19(21)24-14-12-23(13-15-24)11-10-20(25)18-16-27-22-9-5-2-6-17(18)22/h2-9,16,20,25H,10-15H2,1H3
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20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102359
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(2-methoxyphenyl)pi...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H26N2O2S/c1-26-21-8-4-3-7-19(21)24-14-12-23(13-15-24)11-10-20(25)18-16-27-22-9-5-2-6-17(18)22/h2-9,16,20,25H,10-15H2,1H3
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20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118327
PNG
(3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H27FN2O3S/c25-17-5-6-23-18(15-17)19(16-31-23)21(28)7-8-26-9-11-27(12-10-26)20-3-1-4-22-24(20)30-14-2-13-29-22/h1,3-6,15-16,21,28H,2,7-14H2
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21.2n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118324
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-22(20-17-29-23-9-2-1-7-19(20)23)10-12-26-13-15-27(16-14-26)21-8-3-5-18-6-4-11-25-24(18)21/h1-9,11,17,22,28H,10,12-16H2
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24n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50118340
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-5-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ncccc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(20-17-29-24-9-2-1-5-18(20)24)10-12-26-13-15-27(16-14-26)22-8-3-7-21-19(22)6-4-11-25-21/h1-9,11,17,23,28H,10,12-16H2
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32.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102384
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methy...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C19H26N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8,17,22H,9-14H2,1-2H3
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34n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102373
PNG
(3-(4-(naphthalen-1-yl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1ccsc1
Show InChI InChI=1S/C21H22N2OS/c24-21(18-9-15-25-16-18)8-10-22-11-13-23(14-12-22)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,9,15-16H,8,10-14H2
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35n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102357
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(4-chloro-2-methoxy-p...)
Show SMILES COc1cc(Cl)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H25ClN2O2S/c1-27-21-14-16(23)6-7-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-5-3-2-4-17(18)22/h2-7,14-15,20,26H,8-13H2,1H3
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35n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50118340
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-5-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ncccc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(20-17-29-24-9-2-1-5-18(20)24)10-12-26-13-15-27(16-14-26)22-8-3-7-21-19(22)6-4-11-25-21/h1-9,11,17,23,28H,10,12-16H2
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36.8n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102330
PNG
(2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
Show InChI InChI=1S/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
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39n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50045585
PNG
(3-(4-Propyl-piperazin-1-yl)-quinoxaline-2-carbonit...)
Show SMILES CCCN1CCN(CC1)c1nc2ccccc2nc1C#N
Show InChI InChI=1S/C16H19N5/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16/h3-6H,2,7-11H2,1H3
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40n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex


J Med Chem 36: 2745-50 (1993)


BindingDB Entry DOI: 10.7270/Q2FX7B2N
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50209698
PNG
(1-(3'-cyano-4-biphenylmethyl)-3-(2-hydroxy-1,1-dim...)
Show SMILES Cc1ccc(CN2CCC(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)C(=O)NC(C)(C)CO)CC2)cc1
Show InChI InChI=1S/C34H42N4O2/c1-26-7-9-28(10-8-26)23-37-18-15-27(16-19-37)17-20-38(33(40)36-34(2,3)25-39)24-29-11-13-31(14-12-29)32-6-4-5-30(21-32)22-35/h4-14,21,27,39H,15-20,23-25H2,1-3H3,(H,36,40)
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43n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP-7941 from human MCHR1 expressed in HEK cells


Bioorg Med Chem 18: 7365-79 (2010)


Article DOI: 10.1016/j.bmc.2010.09.014
BindingDB Entry DOI: 10.7270/Q2D50N72
More data for this
Ligand-Target Pair
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