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8 similar compounds to monomer 50000485

Compile data set for download or QSAR
Wt: 334.8
BDBM50000479
Wt: 374.9
BDBM50000480
Wt: 374.9
BDBM50000482
Wt: 362.8
BDBM50000484
Wt: 419
BDBM50000486
Wt: 348.8
BDBM50000487
Wt: 306.7
BDBM50161758
Wt: 306.7
BDBM50288583

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50000479,50000480,50000482,50000484,50000486,50000487,50161758,50288583   
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
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.


J Med Chem 35: 895-903 (1992)


Article DOI: 10.1021/jm00083a014
BindingDB Entry DOI: 10.7270/Q2SJ1M77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50161758
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50161758
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288583
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m1/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
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.


J Med Chem 35: 895-903 (1992)


Article DOI: 10.1021/jm00083a014
BindingDB Entry DOI: 10.7270/Q2SJ1M77
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.


J Med Chem 35: 895-903 (1992)


Article DOI: 10.1021/jm00083a014
BindingDB Entry DOI: 10.7270/Q2SJ1M77
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.


J Med Chem 35: 895-903 (1992)


Article DOI: 10.1021/jm00083a014
BindingDB Entry DOI: 10.7270/Q2SJ1M77
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.


J Med Chem 35: 895-903 (1992)


Article DOI: 10.1021/jm00083a014
BindingDB Entry DOI: 10.7270/Q2SJ1M77
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.


J Med Chem 35: 895-903 (1992)


Article DOI: 10.1021/jm00083a014
BindingDB Entry DOI: 10.7270/Q2SJ1M77
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288583
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m1/s1
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50161758
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1
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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288583
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50161758
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair