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Compile Data Set for Download or QSAR

Found 24 hits from CIFA Universidad de Navarra   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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n/an/a 2.5n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(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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n/an/a 46n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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n/an/a 680n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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n/an/a 900n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50041377
PNG
(2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-b...)
Show SMILES C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H19N3O2S/c1-2-4-18-15(3-1)20-19(25-18)22-9-7-21(8-10-22)12-14-5-6-16-17(11-14)24-13-23-16/h1-6,11H,7-10,12-13H2
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n/an/a 950n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50041381
PNG
(2-(4-Benzyl-piperazin-1-yl)-benzothiazole | CHEMBL...)
Show SMILES C(N1CCN(CC1)c1nc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C18H19N3S/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50041383
PNG
(2-(4-Benzooxazol-2-yl-piperazin-1-yl)-phenol | CHE...)
Show SMILES Oc1ccccc1N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C17H17N3O2/c21-15-7-3-2-6-14(15)19-9-11-20(12-10-19)17-18-13-5-1-4-8-16(13)22-17/h1-8,21H,9-12H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50041378
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-benzooxazo...)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C18H19N3O2/c1-22-17-9-5-3-7-15(17)20-10-12-21(13-11-20)18-19-14-6-2-4-8-16(14)23-18/h2-9H,10-13H2,1H3
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CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50041379
PNG
(2-(4-Benzyl-piperazin-1-yl)-benzooxazole | CHEMBL2...)
Show SMILES C(N1CCN(CC1)c1nc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C18H19N3O/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50041387
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-benzothiaz...)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C18H19N3OS/c1-22-16-8-4-3-7-15(16)20-10-12-21(13-11-20)18-19-14-6-2-5-9-17(14)23-18/h2-9H,10-13H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50041382
PNG
(2-[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-benzothiazo...)
Show SMILES CCOc1ccccc1N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N3OS/c1-2-23-17-9-5-4-8-16(17)21-11-13-22(14-12-21)19-20-15-7-3-6-10-18(15)24-19/h3-10H,2,11-14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50041387
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-benzothiaz...)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C18H19N3OS/c1-22-16-8-4-3-7-15(16)20-10-12-21(13-11-20)18-19-14-6-2-5-9-17(14)23-18/h2-9H,10-13H2,1H3
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CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50041388
PNG
(2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-b...)
Show SMILES C(N1CCN(CC1)c1nc2ccccc2o1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H19N3O3/c1-2-4-16-15(3-1)20-19(25-16)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)24-13-23-17/h1-6,11H,7-10,12-13H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50041381
PNG
(2-(4-Benzyl-piperazin-1-yl)-benzothiazole | CHEMBL...)
Show SMILES C(N1CCN(CC1)c1nc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C18H19N3S/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2
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CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50041385
PNG
(2-(4-Benzothiazol-2-yl-piperazin-1-yl)-phenol | CH...)
Show SMILES Oc1ccccc1N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C17H17N3OS/c21-15-7-3-2-6-14(15)19-9-11-20(12-10-19)17-18-13-5-1-4-8-16(13)22-17/h1-8,21H,9-12H2
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CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50041380
PNG
(2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-benzothiazo...)
Show SMILES Clc1cccc(c1)N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C17H16ClN3S/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17-19-15-6-1-2-7-16(15)22-17/h1-7,12H,8-11H2
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CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50041388
PNG
(2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-b...)
Show SMILES C(N1CCN(CC1)c1nc2ccccc2o1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H19N3O3/c1-2-4-16-15(3-1)20-19(25-16)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)24-13-23-17/h1-6,11H,7-10,12-13H2
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CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50041377
PNG
(2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-b...)
Show SMILES C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H19N3O2S/c1-2-4-18-15(3-1)20-19(25-18)22-9-7-21(8-10-22)12-14-5-6-16-17(11-14)24-13-23-16/h1-6,11H,7-10,12-13H2
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CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50041385
PNG
(2-(4-Benzothiazol-2-yl-piperazin-1-yl)-phenol | CH...)
Show SMILES Oc1ccccc1N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C17H17N3OS/c21-15-7-3-2-6-14(15)19-9-11-20(12-10-19)17-18-13-5-1-4-8-16(13)22-17/h1-8,21H,9-12H2
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CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50041383
PNG
(2-(4-Benzooxazol-2-yl-piperazin-1-yl)-phenol | CHE...)
Show SMILES Oc1ccccc1N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C17H17N3O2/c21-15-7-3-2-6-14(15)19-9-11-20(12-10-19)17-18-13-5-1-4-8-16(13)22-17/h1-8,21H,9-12H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50041382
PNG
(2-[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-benzothiazo...)
Show SMILES CCOc1ccccc1N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N3OS/c1-2-23-17-9-5-4-8-16(17)21-11-13-22(14-12-21)19-20-15-7-3-6-10-18(15)24-19/h3-10H,2,11-14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50041380
PNG
(2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-benzothiazo...)
Show SMILES Clc1cccc(c1)N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C17H16ClN3S/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17-19-15-6-1-2-7-16(15)22-17/h1-7,12H,8-11H2
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CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50041379
PNG
(2-(4-Benzyl-piperazin-1-yl)-benzooxazole | CHEMBL2...)
Show SMILES C(N1CCN(CC1)c1nc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C18H19N3O/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from D2 dopamine receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50041378
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-benzooxazo...)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C18H19N3O2/c1-22-17-9-5-3-7-15(17)20-10-12-21(13-11-20)18-19-14-6-2-4-8-16(14)23-18/h2-9H,10-13H2,1H3
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CIFA Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 1320-5 (1994)


Article DOI: 10.1021/jm00035a012
BindingDB Entry DOI: 10.7270/Q2PR7WNB
More data for this
Ligand-Target Pair