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PubMed code 1548679

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230549
PNG
(CHEMBL366617)
Show SMILES Clc1cc2[C@@H]3CCCC[C@@H]3Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-13-9-15-14-3-1-2-4-18(14)25-19(15)16(10-13)20(24)22-17-11-23-7-5-12(17)6-8-23/h9-10,12,14,17-18H,1-8,11H2,(H,22,24)/t14-,17+,18-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230540
PNG
(CHEMBL173873)
Show SMILES Clc1cc2[C@@H]3CCC[C@@H](C3)Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-14-9-16-13-2-1-3-15(8-13)25-19(16)17(10-14)20(24)22-18-11-23-6-4-12(18)5-7-23/h9-10,12-13,15,18H,1-8,11H2,(H,22,24)/t13?,15?,18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230550
PNG
(CHEMBL174020)
Show SMILES Clc1cc2[C@H]3CCC[C@H](C3)Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-14-9-16-13-2-1-3-15(8-13)25-19(16)17(10-14)20(24)22-18-11-23-6-4-12(18)5-7-23/h9-10,12-13,15,18H,1-8,11H2,(H,22,24)/t13?,15?,18-/m1/s1
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0.690n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230548
PNG
(CHEMBL171393)
Show SMILES Clc1cc2C3CCCCC3Oc2c(c1)C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-13-9-15-14-3-1-2-4-18(14)25-19(15)16(10-13)20(24)22-17-11-23-7-5-12(17)6-8-23/h9-10,12,14,17-18H,1-8,11H2,(H,22,24)
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0.740n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230547
PNG
(CHEMBL171518)
Show SMILES Clc1cc2C3CCCC(C3)Oc2c(c1)C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-14-9-16-13-2-1-3-15(8-13)25-19(16)17(10-14)20(24)22-18-11-23-6-4-12(18)5-7-23/h9-10,12-13,15,18H,1-8,11H2,(H,22,24)
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1.10n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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1.5n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000483
PNG
((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
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1.70n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230545
PNG
(CHEMBL171208)
Show SMILES Clc1cc2[C@@H]3CCC[C@@H](C3)Oc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-14-9-16-13-2-1-3-15(8-13)25-19(16)17(10-14)20(24)22-18-11-23-6-4-12(18)5-7-23/h9-10,12-13,15,18H,1-8,11H2,(H,22,24)/t13?,15?,18-/m0/s1
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2n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(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
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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2.10n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230555
PNG
(CHEMBL355512)
Show SMILES Clc1cc2[C@@H]3CCCC[C@@H]3Oc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-13-9-15-14-3-1-2-4-18(14)25-19(15)16(10-13)20(24)22-17-11-23-7-5-12(17)6-8-23/h9-10,12,14,17-18H,1-8,11H2,(H,22,24)/t14-,17-,18-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230541
PNG
(CHEMBL173338)
Show SMILES Clc1cc2[C@H]3CCCC[C@H]3Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-13-9-15-14-3-1-2-4-18(14)25-19(15)16(10-13)20(24)22-17-11-23-7-5-12(17)6-8-23/h9-10,12,14,17-18H,1-8,11H2,(H,22,24)/t14-,17-,18-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230542
PNG
(CHEMBL170155)
Show SMILES Clc1cc2[C@H]3CCC[C@@H](C3)Oc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-14-9-16-13-2-1-3-15(8-13)25-19(16)17(10-14)20(24)22-18-11-23-6-4-12(18)5-7-23/h9-10,12-13,15,18H,1-8,11H2,(H,22,24)/t13?,15?,18-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
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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6.20n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230544
PNG
(CHEMBL353631)
Show SMILES Clc1cc2[C@H]3CCCC[C@H]3Oc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C20H25ClN2O2/c21-13-9-15-14-3-1-2-4-18(14)25-19(15)16(10-13)20(24)22-17-11-23-7-5-12(17)6-8-23/h9-10,12,14,17-18H,1-8,11H2,(H,22,24)/t14-,17+,18-/m1/s1
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8.80n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM82561
PNG
(CAS_40796-97-2 | TROPANYL 3,5-DICHLOROBENZOATE | T...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+
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21n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230546
PNG
(CHEMBL171583)
Show SMILES Clc1cc2C3CCCCC3Oc2c(c1)C(=O)NCCc1c[nH]cn1
Show InChI InChI=1S/C18H20ClN3O2/c19-11-7-14-13-3-1-2-4-16(13)24-17(14)15(8-11)18(23)21-6-5-12-9-20-10-22-12/h7-10,13,16H,1-6H2,(H,20,22)(H,21,23)
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30n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230554
PNG
(CHEMBL369275)
Show SMILES Cn1cccc1CCNC(=O)c1cc(Cl)cc2C3CCCCC3Oc12
Show InChI InChI=1S/C20H23ClN2O2/c1-23-10-4-5-14(23)8-9-22-20(24)17-12-13(21)11-16-15-6-2-3-7-18(15)25-19(16)17/h4-5,10-12,15,18H,2-3,6-9H2,1H3,(H,22,24)
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>100n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230543
PNG
(CHEMBL170507)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)cc2C3CCCCC3Oc12
Show InChI InChI=1S/C19H27ClN2O2/c1-3-22(4-2)10-9-21-19(23)16-12-13(20)11-15-14-7-5-6-8-17(14)24-18(15)16/h11-12,14,17H,3-10H2,1-2H3,(H,21,23)
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100n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230552
PNG
(CHEMBL170407)
Show SMILES CN1CCCC1CCNC(=O)c1cc(Cl)cc2C3CCCCC3Oc12
Show InChI InChI=1S/C20H27ClN2O2/c1-23-10-4-5-14(23)8-9-22-20(24)17-12-13(21)11-16-15-6-2-3-7-18(15)25-19(16)17/h11-12,14-15,18H,2-10H2,1H3,(H,22,24)
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100n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230551
PNG
(CHEMBL171640)
Show SMILES Clc1cc2C3CCCCC3Oc2c(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C19H25ClN2O3/c20-13-11-15-14-3-1-2-4-17(14)25-18(15)16(12-13)19(23)21-5-6-22-7-9-24-10-8-22/h11-12,14,17H,1-10H2,(H,21,23)
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>100n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.


J Med Chem 35: 903-11 (1992)


Article DOI: 10.1021/jm00083a015
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%