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Found 92 hits with Last Name = 'krovat' and Initial = 'em'   
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
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))
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
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))
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))
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
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
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
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))
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))
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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50n/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))
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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58n/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))
BDBM50118341
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-naphthalen...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C25H25FN2OS/c26-19-8-9-25-21(16-19)22(17-30-25)24(29)10-11-27-12-14-28(15-13-27)23-7-3-5-18-4-1-2-6-20(18)23/h1-9,16-17,24,29H,10-15H2
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62n/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))
BDBM50118342
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(naphthalen-1-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
Show InChI InChI=1S/C25H26N2OS/c28-24(22-18-29-25-11-4-3-9-21(22)25)12-13-26-14-16-27(17-15-26)23-10-5-7-19-6-1-2-8-20(19)23/h1-11,18,24,28H,12-17H2
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66.7n/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))
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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77n/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))
BDBM50118342
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(naphthalen-1-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
Show InChI InChI=1S/C25H26N2OS/c28-24(22-18-29-25-11-4-3-9-21(22)25)12-13-26-14-16-27(17-15-26)23-10-5-7-19-6-1-2-8-20(19)23/h1-11,18,24,28H,12-17H2
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81.7n/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))
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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301n/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))
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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377n/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))
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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546n/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))
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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913n/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))
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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995n/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
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50230882
PNG
(CARBOXYLIC ACID METABOLITE | CHEBI:74125 | E-3174)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/a 1.30n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.


J Med Chem 46: 716-26 (2003)


Article DOI: 10.1021/jm021032v
BindingDB Entry DOI: 10.7270/Q22B91RC
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50226528
PNG
(CHEMBL284425)
Show SMILES CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2ccccc2S(O)(=O)=O)cc1
Show InChI InChI=1S/C23H26ClN3O5S/c1-3-4-9-21-26-22(24)19(15-32-2)27(21)14-16-10-12-17(13-11-16)25-23(28)18-7-5-6-8-20(18)33(29,30)31/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,25,28)(H,29,30,31)
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n/an/a 12n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.


J Med Chem 46: 716-26 (2003)


Article DOI: 10.1021/jm021032v
BindingDB Entry DOI: 10.7270/Q22B91RC
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50229469
PNG
(CHEMBL315094)
Show SMILES CCCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N6O/c1-2-3-8-20-27-21(23(24,25)26)19(14-33)32(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-28-30-31-29-22/h4-7,9-12,33H,2-3,8,13-14H2,1H3,(H,28,29,30,31)
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n/an/a 12n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.


J Med Chem 46: 716-26 (2003)


Article DOI: 10.1021/jm021032v
BindingDB Entry DOI: 10.7270/Q22B91RC
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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n/an/a 16.1n/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of (+)-8-OH-DPAT stimulated [35S]-GTP-gammaS, binding to 5-hydroxytryptamine 1A receptor in hippocampal membranes


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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n/an/a 18.0n/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of (+)-8-OH-DPAT stimulated [35S]-GTP-gammaS, binding to 5-hydroxytryptamine 1A receptor in hippocampal membranes


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.


J Med Chem 46: 716-26 (2003)


Article DOI: 10.1021/jm021032v
BindingDB Entry DOI: 10.7270/Q22B91RC
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50229433
PNG
(CHEMBL85692)
Show SMILES CCCCc1nc(Br)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H23BrN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.


J Med Chem 46: 716-26 (2003)


Article DOI: 10.1021/jm021032v
BindingDB Entry DOI: 10.7270/Q22B91RC
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50229443
PNG
(CHEMBL313715)
Show SMILES CCCCc1nc(I)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H23IN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 20n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.


J Med Chem 46: 716-26 (2003)


Article DOI: 10.1021/jm021032v
BindingDB Entry DOI: 10.7270/Q22B91RC
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50229435
PNG
(CHEMBL87755)
Show SMILES CCCCc1ncc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H24N6O/c1-2-3-8-21-23-13-18(15-29)28(21)14-16-9-11-17(12-10-16)19-6-4-5-7-20(19)22-24-26-27-25-22/h4-7,9-13,29H,2-3,8,14-15H2,1H3,(H,24,25,26,27)
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n/an/a 29n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.


J Med Chem 46: 716-26 (2003)


Article DOI: 10.1021/jm021032v
BindingDB Entry DOI: 10.7270/Q22B91RC
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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n/an/a 31.2n/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of (+)-8-OH-DPAT stimulated [35S]-GTP-gammaS, binding to 5-hydroxytryptamine 1A receptor in hippocampal membranes


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))
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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n/an/a 31.2n/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of (+)-8-OH-DPAT stimulated [35S]-GTP-gammaS, binding to 5-hydroxytryptamine 1A receptor in hippocampal membranes


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))
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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n/an/a 31.5n/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of (+)-8-OH-DPAT stimulated [35S]-GTP-gammaS, binding to 5-hydroxytryptamine 1A receptor in hippocampal membranes


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50226467
PNG
(CHEMBL276956)
Show SMILES CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(O)=O)cc1
Show InChI InChI=1S/C24H24Cl3N3O4/c1-3-4-5-19-29-22(27)18(13-34-2)30(19)12-14-6-8-15(9-7-14)28-23(31)20-16(25)10-11-17(26)21(20)24(32)33/h6-11H,3-5,12-13H2,1-2H3,(H,28,31)(H,32,33)
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n/an/a 42n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.


J Med Chem 46: 716-26 (2003)


Article DOI: 10.1021/jm021032v
BindingDB Entry DOI: 10.7270/Q22B91RC
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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n/an/a 56.2n/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of (+)-8-OH-DPAT stimulated [35S]-GTP-gammaS, binding to 5-hydroxytryptamine 1A receptor in hippocampal membranes


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50229476
PNG
(CHEMBL85984)
Show SMILES CC\C=C\c1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H21ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h3-12,26H,2,13-14H2,1H3,(H,27,28)/b8-3+
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n/an/a 80n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.


J Med Chem 46: 716-26 (2003)


Article DOI: 10.1021/jm021032v
BindingDB Entry DOI: 10.7270/Q22B91RC
More data for this
Ligand-Target Pair
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