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PubMed code 22107017

Compile data set for download or QSAR
Found 47 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 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365250
PNG
(CHEMBL1958323)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)[nH]nc1C
Show InChI InChI=1S/C19H25N3O2/c1-14-5-3-10-22(14)11-4-12-24-17-8-6-16(7-9-17)18-13-19(23)21-20-15(18)2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1
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PubMed
1.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365260
PNG
(CHEMBL1958333)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)n(nc1C)-c1ccccn1
Show InChI InChI=1S/C24H28N4O2/c1-18-7-5-14-27(18)15-6-16-30-21-11-9-20(10-12-21)22-17-24(29)28(26-19(22)2)23-8-3-4-13-25-23/h3-4,8-13,17-18H,5-7,14-16H2,1-2H3/t18-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365258
PNG
(CHEMBL1958331)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2cccc(C)n2)c(=O)c1
Show InChI InChI=1S/C24H28N4O2/c1-18-6-3-8-23(26-18)28-24(29)16-21(17-25-28)20-9-11-22(12-10-20)30-15-5-14-27-13-4-7-19(27)2/h3,6,8-12,16-17,19H,4-5,7,13-15H2,1-2H3/t19-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365246
PNG
(CHEMBL1958133)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(C)c(=O)c1
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-10-22(15)11-4-12-24-18-8-6-16(7-9-18)17-13-19(23)21(2)20-14-17/h6-9,13-15H,3-5,10-12H2,1-2H3/t15-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365253
PNG
(CHEMBL1958326)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)n(C)nc1C
Show InChI InChI=1S/C20H27N3O2/c1-15-6-4-11-23(15)12-5-13-25-18-9-7-17(8-10-18)19-14-20(24)22(3)21-16(19)2/h7-10,14-15H,4-6,11-13H2,1-3H3/t15-/m1/s1
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365259
PNG
(CHEMBL1958332)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ncccc2C)c(=O)c1
Show InChI InChI=1S/C24H28N4O2/c1-18-6-3-12-25-24(18)28-23(29)16-21(17-26-28)20-8-10-22(11-9-20)30-15-5-14-27-13-4-7-19(27)2/h3,6,8-12,16-17,19H,4-5,7,13-15H2,1-2H3/t19-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365249
PNG
(CHEMBL1958322)
Show SMILES CC(C)n1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1
Show InChI InChI=1S/C21H29N3O2/c1-16(2)24-21(25)14-19(15-22-24)18-7-9-20(10-8-18)26-13-5-12-23-11-4-6-17(23)3/h7-10,14-17H,4-6,11-13H2,1-3H3/t17-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50350023
PNG
(CHEMBL1813065)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365261
PNG
(CHEMBL1958334)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)n(nc1C)-c1ncccc1C
Show InChI InChI=1S/C25H30N4O2/c1-18-7-4-13-26-25(18)29-24(30)17-23(20(3)27-29)21-9-11-22(12-10-21)31-16-6-15-28-14-5-8-19(28)2/h4,7,9-13,17,19H,5-6,8,14-16H2,1-3H3/t19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365258
PNG
(CHEMBL1958331)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2cccc(C)n2)c(=O)c1
Show InChI InChI=1S/C24H28N4O2/c1-18-6-3-8-23(26-18)28-24(29)16-21(17-25-28)20-9-11-22(12-10-20)30-15-5-14-27-13-4-7-19(27)2/h3,6,8-12,16-17,19H,4-5,7,13-15H2,1-2H3/t19-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365252
PNG
(CHEMBL1958325)
Show SMILES Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C20H27N3O2/c1-16-19(15-20(24)22-21-16)17-7-9-18(10-8-17)25-14-6-13-23-11-4-2-3-5-12-23/h7-10,15H,2-6,11-14H2,1H3,(H,22,24)
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4.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365260
PNG
(CHEMBL1958333)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)n(nc1C)-c1ccccn1
Show InChI InChI=1S/C24H28N4O2/c1-18-7-5-14-27(18)15-6-16-30-21-11-9-20(10-12-21)22-17-24(29)28(26-19(22)2)23-8-3-4-13-25-23/h3-4,8-13,17-18H,5-7,14-16H2,1-2H3/t18-/m1/s1
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5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365250
PNG
(CHEMBL1958323)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)[nH]nc1C
Show InChI InChI=1S/C19H25N3O2/c1-14-5-3-10-22(14)11-4-12-24-17-8-6-16(7-9-17)18-13-19(23)21-20-15(18)2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365257
PNG
(CHEMBL1958330)
Show SMILES O=c1cc(cnn1-c1ccccn1)-c1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C24H28N4O2/c29-24-18-21(19-26-28(24)23-8-3-4-13-25-23)20-9-11-22(12-10-20)30-17-7-16-27-14-5-1-2-6-15-27/h3-4,8-13,18-19H,1-2,5-7,14-17H2
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5.30n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365246
PNG
(CHEMBL1958133)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(C)c(=O)c1
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-10-22(15)11-4-12-24-18-8-6-16(7-9-18)17-13-19(23)21(2)20-14-17/h6-9,13-15H,3-5,10-12H2,1-2H3/t15-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365253
PNG
(CHEMBL1958326)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)n(C)nc1C
Show InChI InChI=1S/C20H27N3O2/c1-15-6-4-11-23(15)12-5-13-25-18-9-7-17(8-10-18)19-14-20(24)22(3)21-16(19)2/h7-10,14-15H,4-6,11-13H2,1-3H3/t15-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365249
PNG
(CHEMBL1958322)
Show SMILES CC(C)n1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1
Show InChI InChI=1S/C21H29N3O2/c1-16(2)24-21(25)14-19(15-22-24)18-7-9-20(10-8-18)26-13-5-12-23-11-4-6-17(23)3/h7-10,14-17H,4-6,11-13H2,1-3H3/t17-/m1/s1
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7n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365252
PNG
(CHEMBL1958325)
Show SMILES Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C20H27N3O2/c1-16-19(15-20(24)22-21-16)17-7-9-18(10-8-17)25-14-6-13-23-11-4-2-3-5-12-23/h7-10,15H,2-6,11-14H2,1H3,(H,22,24)
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7.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365256
PNG
(CHEMBL1958329)
Show SMILES O=c1cc(cnn1-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H26N4O2/c28-23-17-20(18-25-27(23)22-7-2-3-12-24-22)19-8-10-21(11-9-19)29-16-6-15-26-13-4-1-5-14-26/h2-3,7-12,17-18H,1,4-6,13-16H2
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7.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365251
PNG
(CHEMBL1958324)
Show SMILES Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H25N3O2/c1-15-18(14-19(23)21-20-15)16-6-8-17(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14H,2-5,10-13H2,1H3,(H,21,23)
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7.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365248
PNG
(CHEMBL1958135)
Show SMILES Cn1ncc(cc1=O)-c1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C20H27N3O2/c1-22-20(24)15-18(16-21-22)17-7-9-19(10-8-17)25-14-6-13-23-11-4-2-3-5-12-23/h7-10,15-16H,2-6,11-14H2,1H3
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8.10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50350023
PNG
(CHEMBL1813065)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365259
PNG
(CHEMBL1958332)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ncccc2C)c(=O)c1
Show InChI InChI=1S/C24H28N4O2/c1-18-6-3-12-25-24(18)28-23(29)16-21(17-26-28)20-8-10-22(11-9-20)30-15-5-14-27-13-4-7-19(27)2/h3,6,8-12,16-17,19H,4-5,7,13-15H2,1-2H3/t19-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365254
PNG
(CHEMBL1958327)
Show SMILES Cc1nn(C)c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C20H27N3O2/c1-16-19(15-20(24)22(2)21-16)17-7-9-18(10-8-17)25-14-6-13-23-11-4-3-5-12-23/h7-10,15H,3-6,11-14H2,1-2H3
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8.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365255
PNG
(CHEMBL1958328)
Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m0/s1
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11n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365257
PNG
(CHEMBL1958330)
Show SMILES O=c1cc(cnn1-c1ccccn1)-c1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C24H28N4O2/c29-24-18-21(19-26-28(24)23-8-3-4-13-25-23)20-9-11-22(12-10-20)30-17-7-16-27-14-5-1-2-6-15-27/h3-4,8-13,18-19H,1-2,5-7,14-17H2
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12n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365247
PNG
(CHEMBL1958134)
Show SMILES Cn1ncc(cc1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H25N3O2/c1-21-19(23)14-17(15-20-21)16-6-8-18(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14-15H,2-5,10-13H2,1H3
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13n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365256
PNG
(CHEMBL1958329)
Show SMILES O=c1cc(cnn1-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H26N4O2/c28-23-17-20(18-25-27(23)22-7-2-3-12-24-22)19-8-10-21(11-9-19)29-16-6-15-26-13-4-1-5-14-26/h2-3,7-12,17-18H,1,4-6,13-16H2
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16n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365261
PNG
(CHEMBL1958334)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)n(nc1C)-c1ncccc1C
Show InChI InChI=1S/C25H30N4O2/c1-18-7-4-13-26-25(18)29-24(30)17-23(20(3)27-29)21-9-11-22(12-10-21)31-16-6-15-28-14-5-8-19(28)2/h4,7,9-13,17,19H,5-6,8,14-16H2,1-3H3/t19-/m1/s1
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17n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365254
PNG
(CHEMBL1958327)
Show SMILES Cc1nn(C)c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C20H27N3O2/c1-16-19(15-20(24)22(2)21-16)17-7-9-18(10-8-17)25-14-6-13-23-11-4-3-5-12-23/h7-10,15H,3-6,11-14H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50365245
PNG
(CHEMBL1958132)
Show SMILES O=c1cc(cn[nH]1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H23N3O2/c22-18-13-16(14-19-20-18)15-5-7-17(8-6-15)23-12-4-11-21-9-2-1-3-10-21/h5-8,13-14H,1-4,9-12H2,(H,20,22)
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19n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365248
PNG
(CHEMBL1958135)
Show SMILES Cn1ncc(cc1=O)-c1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C20H27N3O2/c1-22-20(24)15-18(16-21-22)17-7-9-19(10-8-17)25-14-6-13-23-11-4-2-3-5-12-23/h7-10,15-16H,2-6,11-14H2,1H3
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22n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365251
PNG
(CHEMBL1958324)
Show SMILES Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H25N3O2/c1-15-18(14-19(23)21-20-15)16-6-8-17(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14H,2-5,10-13H2,1H3,(H,21,23)
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23n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365245
PNG
(CHEMBL1958132)
Show SMILES O=c1cc(cn[nH]1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H23N3O2/c22-18-13-16(14-19-20-18)15-5-7-17(8-6-15)23-12-4-11-21-9-2-1-3-10-21/h5-8,13-14H,1-4,9-12H2,(H,20,22)
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28n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365255
PNG
(CHEMBL1958328)
Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m0/s1
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29n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365247
PNG
(CHEMBL1958134)
Show SMILES Cn1ncc(cc1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H25N3O2/c1-21-19(23)14-17(15-20-21)16-6-8-18(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14-15H,2-5,10-13H2,1H3
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30n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
PDB
MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT3 receptor assessed as inhibition of RAMH-induced [35S]GTPgammaS binding


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant 5HT3 receptor assessed as inhibition of RAMH-induced [35S]GTPgammaS binding


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%