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PubMed code 1312602

Compile data set for download or QSAR
Found 18 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)
BDBM50000485
PNG
((S)-2-(5-chlorospiro[2,3-dihydrobenzo[b]furan-2,1'...)
Show SMILES Clc1cc2CC3(CCCCC3)Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C21H27ClN2O2/c22-16-10-15-12-21(6-2-1-3-7-21)26-19(15)17(11-16)20(25)23-18-13-24-8-4-14(18)5-9-24/h10-11,14,18H,1-9,12-13H2,(H,23,25)/t18-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000482
PNG
((R)-2-(5-chlorospiro[2,3-dihydrobenzo[b]furan-2,1'...)
Show SMILES Clc1cc2CC3(CCCCC3)Oc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C21H27ClN2O2/c22-16-10-15-12-21(6-2-1-3-7-21)26-19(15)17(11-16)20(25)23-18-13-24-8-4-14(18)5-9-24/h10-11,14,18H,1-9,12-13H2,(H,23,25)/t18-/m0/s1
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0.890n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000480
PNG
(2-(5-chlorospiro[2,3-dihydrobenzo[b]furan-2,1'-cyc...)
Show SMILES Clc1cc2CC3(CCCCC3)Oc2c(c1)C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C21H27ClN2O2/c22-16-10-15-12-21(6-2-1-3-7-21)26-19(15)17(11-16)20(25)23-18-13-24-8-4-14(18)5-9-24/h10-11,14,18H,1-9,12-13H2,(H,23,25)
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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
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000479
PNG
(7-Chloro-2,3,4,5-tetrahydro-benzo[b]oxepine-9-carb...)
Show SMILES Clc1cc2CCCCOc2c(c1)C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C18H23ClN2O2/c19-14-9-13-3-1-2-8-23-17(13)15(10-14)18(22)20-16-11-21-6-4-12(16)5-7-21/h9-10,12,16H,1-8,11H2,(H,20,22)
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1.20n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
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
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50449636
PNG
(BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...)
Show SMILES CN1[C@H]2CCC[C@@H]1C[C@H](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)/t12-,13-,14+
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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
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000495
PNG
((ICS 205-930)1H-Indole-3-carboxylic acid 6-methyl-...)
Show SMILES CN1CC2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N2O2/c1-20-11-12-6-7-13(20)9-14(8-12)22-18(21)16-10-19-17-5-3-2-4-15(16)17/h2-5,10,12-14,19H,6-9,11H2,1H3
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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
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000494
PNG
(7-Bromo-2,3,4,5-tetrahydro-benzo[b]oxepine-9-carbo...)
Show SMILES Brc1cc2CCCCOc2c(c1)C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C18H23BrN2O2/c19-14-9-13-3-1-2-8-23-17(13)15(10-14)18(22)20-16-11-21-6-4-12(16)5-7-21/h9-10,12,16H,1-8,11H2,(H,20,22)
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2.20n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000487
PNG
(8-Chloro-3,4,5,6-tetrahydro-2H-benzo[b]oxocine-10-...)
Show SMILES Clc1cc2CCCCCOc2c(c1)C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C19H25ClN2O2/c20-15-10-14-4-2-1-3-9-24-18(14)16(11-15)19(23)21-17-12-22-7-5-13(17)6-8-22/h10-11,13,17H,1-9,12H2,(H,21,23)
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4.70n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000489
PNG
(CHEMBL353993 | N-(1-Aza-bicyclo[2.2.2]oct-3-yl)-5-...)
Show SMILES COc1c(cc(Cl)cc1C(=O)NC1CN2CCC1CC2)C1CCCCC1
Show InChI InChI=1S/C21H29ClN2O2/c1-26-20-17(14-5-3-2-4-6-14)11-16(22)12-18(20)21(25)23-19-13-24-9-7-15(19)8-10-24/h11-12,14-15,19H,2-10,13H2,1H3,(H,23,25)
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6.10n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
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
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000478
PNG
(2,3,4,5-Tetrahydro-benzo[b]oxepine-9-carboxylic ac...)
Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2CCCCOc12
Show InChI InChI=1S/C18H24N2O2/c21-18(19-16-12-20-9-7-13(16)8-10-20)15-6-3-5-14-4-1-2-11-22-17(14)15/h3,5-6,13,16H,1-2,4,7-12H2,(H,19,21)
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14n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000484
PNG
(7-Chloro-2,2-dimethyl-2,3,4,5-tetrahydro-benzo[b]o...)
Show SMILES CC1(C)CCCc2cc(Cl)cc(C(=O)NC3CN4CCC3CC4)c2O1
Show InChI InChI=1S/C20H27ClN2O2/c1-20(2)7-3-4-14-10-15(21)11-16(18(14)25-20)19(24)22-17-12-23-8-5-13(17)6-9-23/h10-11,13,17H,3-9,12H2,1-2H3,(H,22,24)
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16n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000486
PNG
(CHEMBL368992 | N-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2-...)
Show SMILES CCC(C)Oc1c(cc(Cl)cc1C(=O)NC1CN2CCC1CC2)C1CCCCC1
Show InChI InChI=1S/C24H35ClN2O2/c1-3-16(2)29-23-20(17-7-5-4-6-8-17)13-19(25)14-21(23)24(28)26-22-15-27-11-9-18(22)10-12-27/h13-14,16-18,22H,3-12,15H2,1-2H3,(H,26,28)
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>30n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000488
PNG
(CHEMBL171070 | N-(1-Aza-bicyclo[2.2.2]oct-3-yl)-5-...)
Show SMILES COc1ccc(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H19ClN2O2/c1-20-14-3-2-11(16)8-12(14)15(19)17-13-9-18-6-4-10(13)5-7-18/h2-3,8,10,13H,4-7,9H2,1H3,(H,17,19)
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47n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000490
PNG
(7-Chloro-2,3,4,5-tetrahydro-benzo[b]oxepine-9-carb...)
Show SMILES Clc1cc2CCCCOc2c(c1)C(=O)NC1CCN2CCCC1C2
Show InChI InChI=1S/C19H25ClN2O2/c20-15-10-13-4-1-2-9-24-18(13)16(11-15)19(23)21-17-6-8-22-7-3-5-14(17)12-22/h10-11,14,17H,1-9,12H2,(H,21,23)
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63n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000481
PNG
(8-Amino-7-chloro-2,3,4,5-tetrahydro-benzo[b]oxepin...)
Show SMILES Nc1c(Cl)cc2CCCCOc2c1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C18H24ClN3O2/c19-13-9-12-3-1-2-8-24-17(12)15(16(13)20)18(23)21-14-10-22-6-4-11(14)5-7-22/h9,11,14H,1-8,10,20H2,(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
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM48320
PNG
(4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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995n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%