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Compile Data Set for Download or QSAR

Found 368 hits with Last Name = 'kuroita' and Initial = 't'   
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 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218398
PNG
(CHEMBL1907861)
Show SMILES Fc1ccc(CCN2CC[C@@H](C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/s2
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0.0900n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218392
PNG
(CHEMBL79277)
Show SMILES Fc1ccccc1CCN1CCC(C1)NC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C23H31FN2O/c24-21-4-2-1-3-19(21)5-7-26-8-6-20(15-26)25-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20H,5-15H2,(H,25,27)
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0.140n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50218388
PNG
(CHEMBL78986)
Show SMILES O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-7-9-25(16-21)8-6-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H,24,26)/t18?,19?,20?,21-,23?/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50218397
PNG
(CHEMBL83611)
Show SMILES O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C24H34N2O/c27-23(24-14-19-11-20(15-24)13-21(12-19)16-24)25-22-8-10-26(17-22)9-4-7-18-5-2-1-3-6-18/h1-3,5-6,19-22H,4,7-17H2,(H,25,27)
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0.190n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218396
PNG
(CHEMBL315259)
Show SMILES O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-7-9-25(16-21)8-6-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H,24,26)/t18?,19?,20?,21-,23?/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218397
PNG
(CHEMBL83611)
Show SMILES O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C24H34N2O/c27-23(24-14-19-11-20(15-24)13-21(12-19)16-24)25-22-8-10-26(17-22)9-4-7-18-5-2-1-3-6-18/h1-3,5-6,19-22H,4,7-17H2,(H,25,27)
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0.320n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218399
PNG
(CHEMBL79643)
Show SMILES Clc1ccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1/C23H31ClN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)
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0.440n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.470n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086855
PNG
(CHEMBL82884 | Cyclohexanecarboxylic acid ((S)-1-ph...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50086855
PNG
(CHEMBL82884 | Cyclohexanecarboxylic acid ((S)-1-ph...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50218400
PNG
(CHEMBL1907669)
Show SMILES Fc1ccc(CCN2CC[C@H](C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/s2
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0.530n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218391
PNG
(CHEMBL79528)
Show SMILES Fc1cccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1/C23H31FN2O/c24-20-3-1-2-16(11-20)4-6-26-7-5-21(15-26)25-22(27)23-12-17-8-18(13-23)10-19(9-17)14-23/h1-3,11,17-19,21H,4-10,12-15H2,(H,25,27)
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0.550n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.660n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.660n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor from striata of male Wistar rats by displacement of [3H]ketanserin


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50218393
PNG
(CHEMBL79542)
Show SMILES O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
Show InChI InChI=1S/C19H28N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,20,22)/t18-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50218395
PNG
(CHEMBL311095)
Show SMILES O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C25H36N2O/c28-24(25-15-20-12-21(16-25)14-22(13-20)17-25)26-23-9-11-27(18-23)10-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,20-23H,4-5,8-18H2,(H,26,28)
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1.10n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.5n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218398
PNG
(CHEMBL1907861)
Show SMILES Fc1ccc(CCN2CC[C@@H](C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/s2
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3n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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3.5n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50284595
PNG
(4-Methyl-6-methylsulfanyl-3,4-dihydro-2H-benzo[1,4...)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(SC)cc2N(C)CCOc12
Show InChI InChI=1S/C20H31N3O2S/c1-4-5-8-23-9-6-7-15(23)14-21-20(24)17-12-16(26-3)13-18-19(17)25-11-10-22(18)2/h12-13,15H,4-11,14H2,1-3H3,(H,21,24)/t15-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50284598
PNG
(5-Chloro-2,3-dihydro-benzofuran-7-carboxylic acid ...)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2CCOc12
Show InChI InChI=1S/C18H25ClN2O2/c1-2-3-7-21-8-4-5-15(21)12-20-18(22)16-11-14(19)10-13-6-9-23-17(13)16/h10-11,15H,2-9,12H2,1H3,(H,20,22)/t15-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50284608
PNG
(4-Methyl-6-methylsulfanyl-3,4-dihydro-2H-benzo[1,4...)
Show SMILES CSc1cc2N(C)CCOc2c(c1)C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C23H29N3O2S/c1-25-11-12-28-22-20(13-19(29-2)14-21(22)25)23(27)24-15-18-9-6-10-26(18)16-17-7-4-3-5-8-17/h3-5,7-8,13-14,18H,6,9-12,15-16H2,1-2H3,(H,24,27)/t18-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086861
PNG
(3-Methylsulfanyl-N-((S)-1-phenethyl-pyrrolidin-2-y...)
Show SMILES CSc1cccc(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C21H26N2OS/c1-25-20-11-5-9-18(15-20)21(24)22-16-19-10-6-13-23(19)14-12-17-7-3-2-4-8-17/h2-5,7-9,11,15,19H,6,10,12-14,16H2,1H3,(H,22,24)/t19-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086856
PNG
(CHEMBL147279 | N-((S)-1-Phenethyl-pyrrolidin-2-ylm...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2,(H,21,23)/t19-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50093797
PNG
(Adamantane-1-carboxylic acid {1-[2-(4-cyano-phenyl...)
Show SMILES O=C(NC1CCN(CCc2ccc(cc2)C#N)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C24H31N3O/c25-15-18-3-1-17(2-4-18)5-7-27-8-6-22(16-27)26-23(28)24-12-19-9-20(13-24)11-21(10-19)14-24/h1-4,19-22H,5-14,16H2,(H,26,28)
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5.5n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218396
PNG
(CHEMBL315259)
Show SMILES O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-7-9-25(16-21)8-6-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H,24,26)/t18?,19?,20?,21-,23?/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50284589
PNG
(5-Chloro-2,3-dihydro-benzofuran-7-carboxylic acid ...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2CCOc12
Show InChI InChI=1S/C16H21ClN2O2/c1-2-19-6-3-4-13(19)10-18-16(20)14-9-12(17)8-11-5-7-21-15(11)14/h8-9,13H,2-7,10H2,1H3,(H,18,20)/t13-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218388
PNG
(CHEMBL78986)
Show SMILES O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-7-9-25(16-21)8-6-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H,24,26)/t18?,19?,20?,21-,23?/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50086857
PNG
(5-Methylsulfanyl-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES CSc1cc2CCOc2c(c1)C(=O)NC[C@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28N2O2S/c1-28-20-14-18-10-13-27-22(18)21(15-20)23(26)24-16-19-8-5-11-25(19)12-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,24,26)/t19-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218388
PNG
(CHEMBL78986)
Show SMILES O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-7-9-25(16-21)8-6-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H,24,26)/t18?,19?,20?,21-,23?/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218392
PNG
(CHEMBL79277)
Show SMILES Fc1ccccc1CCN1CCC(C1)NC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C23H31FN2O/c24-21-4-2-1-3-19(21)5-7-26-8-6-20(15-26)25-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20H,5-15H2,(H,25,27)
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7.60n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50093789
PNG
(CHEMBL541829 | Succinic acid mono-(2-dimethylamino...)
Show SMILES COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(O)=O)c1
Show InChI InChI=1/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)
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7.90n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086858
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CN1CCOc2c1cc(Cl)cc2C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28ClN3O2/c1-26-12-13-29-22-20(14-18(24)15-21(22)26)23(28)25-16-19-8-5-10-27(19)11-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,25,28)/t19-/m0/s1
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10n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086858
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CN1CCOc2c1cc(Cl)cc2C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28ClN3O2/c1-26-12-13-29-22-20(14-18(24)15-21(22)26)23(28)25-16-19-8-5-10-27(19)11-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,25,28)/t19-/m0/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50093796
PNG
(Adamantane-1-carboxylic acid {1-[2-(4-methoxy-phen...)
Show SMILES COc1ccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1/C24H34N2O2/c1-28-22-4-2-17(3-5-22)6-8-26-9-7-21(16-26)25-23(27)24-13-18-10-19(14-24)12-20(11-18)15-24/h2-5,18-21H,6-16H2,1H3,(H,25,27)
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11n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218387
PNG
(CHEMBL315064)
Show SMILES FC(F)(F)c1ccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1/C24H31F3N2O/c25-24(26,27)20-3-1-16(2-4-20)5-7-29-8-6-21(15-29)28-22(30)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,28,30)
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11n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50086852
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
Show InChI InChI=1S/C19H28ClN3O2/c1-3-4-7-23-8-5-6-15(23)13-21-19(24)16-11-14(20)12-17-18(16)25-10-9-22(17)2/h11-12,15H,3-10,13H2,1-2H3,(H,21,24)/t15-/m0/s1
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12n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50086852
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
Show InChI InChI=1S/C19H28ClN3O2/c1-3-4-7-23-8-5-6-15(23)13-21-19(24)16-11-14(20)12-17-18(16)25-10-9-22(17)2/h11-12,15H,3-10,13H2,1-2H3,(H,21,24)/t15-/m0/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218395
PNG
(CHEMBL311095)
Show SMILES O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C25H36N2O/c28-24(25-15-20-12-21(16-25)14-22(13-20)17-25)26-23-9-11-27(18-23)10-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,20-23H,4-5,8-18H2,(H,26,28)
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12n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218399
PNG
(CHEMBL79643)
Show SMILES Clc1ccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1/C23H31ClN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)
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12n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50218394
PNG
(CHEMBL310801)
Show SMILES O=C(N[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1
Show InChI InChI=1S/C19H22N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22)/t18-/m1/s1
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14n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50218391
PNG
(CHEMBL79528)
Show SMILES Fc1cccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1/C23H31FN2O/c24-20-3-1-2-16(11-20)4-6-26-7-5-21(15-26)25-22(27)23-12-17-8-18(13-23)10-19(9-17)14-23/h1-3,11,17-19,21H,4-10,12-15H2,(H,25,27)
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14n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50218401
PNG
(CHEMBL309551)
Show SMILES O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
Show InChI InChI=1S/C19H28N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,20,22)/t18-/m0/s1
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14n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50284593
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
Show InChI InChI=1S/C17H24ClN3O2/c1-3-21-6-4-5-13(21)11-19-17(22)14-9-12(18)10-15-16(14)23-8-7-20(15)2/h9-10,13H,3-8,11H2,1-2H3,(H,19,22)/t13-/m0/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50284607
PNG
(2-Methoxy-N-((R)-1-nonyl-pyrrolidin-2-ylmethyl)-5-...)
Show SMILES CCCCCCCCCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C22H37N3O4S/c1-3-4-5-6-7-8-9-14-25-15-10-11-18(25)17-24-22(26)20-16-19(30(23,27)28)12-13-21(20)29-2/h12-13,16,18H,3-11,14-15,17H2,1-2H3,(H,24,26)(H2,23,27,28)/t18-/m1/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50284608
PNG
(4-Methyl-6-methylsulfanyl-3,4-dihydro-2H-benzo[1,4...)
Show SMILES CSc1cc2N(C)CCOc2c(c1)C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C23H29N3O2S/c1-25-11-12-28-22-20(13-19(29-2)14-21(22)25)23(27)24-15-18-9-6-10-26(18)16-17-7-4-3-5-8-17/h3-5,7-8,13-14,18H,6,9-12,15-16H2,1-2H3,(H,24,27)/t18-/m1/s1
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50284611
PNG
(4-Methyl-6-methylsulfanyl-3,4-dihydro-2H-benzo[1,4...)
Show SMILES CCCCN1CCC[C@@H]1CNC(=O)c1cc(SC)cc2N(C)CCOc12
Show InChI InChI=1S/C20H31N3O2S/c1-4-5-8-23-9-6-7-15(23)14-21-20(24)17-12-16(26-3)13-18-19(17)25-11-10-22(18)2/h12-13,15H,4-11,14H2,1-3H3,(H,21,24)/t15-/m1/s1
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats


Bioorg Med Chem Lett 5: 1245-1250 (1995)


Article DOI: 10.1016/0960-894X(95)00197-2
BindingDB Entry DOI: 10.7270/Q2WH2PX0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218400
PNG
(CHEMBL1907669)
Show SMILES Fc1ccc(CCN2CC[C@H](C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/s2
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17n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
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