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21 similar compounds to monomer 50000483

Compile data set for download or QSAR
Wt: 312.4
BDBM50449636
Purchase
Wt: 298.3
BDBM84739
Wt: 298.3
BDBM50452751
Wt: 328.4
BDBM50307815
Wt: 342.4
BDBM50307816
Wt: 328.4
BDBM50307818
Wt: 342.4
BDBM50307819
Wt: 328.4
BDBM50307821
Wt: 342.4
BDBM50307822
Wt: 328.4
BDBM50307824
Wt: 342.4
BDBM50307825
Wt: 388.5
BDBM50307827
Wt: 355.4
BDBM50307828
Wt: 312.4
BDBM50388688
Wt: 479.7
BDBM50388689
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50449636,84739,50452751,50307815,50307816,50307818,50307819,50307821,50307822,50307824,50307825,50307827,50307828,50388688,50388689   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307815
PNG
(4-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2cccc(O)c12
Show InChI InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)17-16-14(22(2)20-17)7-4-8-15(16)23/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
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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0.350n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 receptor in rat cortical membrane


J Med Chem 41: 728-41 (1998)


Article DOI: 10.1021/jm970645i
BindingDB Entry DOI: 10.7270/Q2QV3N6F
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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0.350n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
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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0.5n/an/an/an/an/an/an/an/a



Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 3 receptor was determined by measuring displacement of [3H]GR-65630 from rat brain cortices


J Med Chem 41: 3015-21 (1998)


Article DOI: 10.1021/jm9801004
BindingDB Entry DOI: 10.7270/Q20P10Q9
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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0.600n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex


J Med Chem 41: 311-7 (1998)


Article DOI: 10.1021/jm9705418
BindingDB Entry DOI: 10.7270/Q2N29XMV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307824
PNG
(7-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(O)cccc12
Show InChI InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1
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0.670n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
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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0.790n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50388689
PNG
(CHEMBL2059578)
Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C29H45N5O/c1-22(2)34-27-13-7-6-12-26(27)28(31-34)29(35)30-23-20-24-14-15-25(21-23)33(24)19-11-4-3-8-16-32-17-9-5-10-18-32/h6-7,12-13,22-25H,3-5,8-11,14-21H2,1-2H3,(H,30,35)/t23-,24+,25-
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1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 4849-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307828
PNG
(1-(3-Aminopropyl)-N-[(3-endo)-9-methyl-9-azabicycl...)
Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCN)c2ccccc12
Show InChI InChI=1S/C20H29N5O/c1-24-15-6-4-7-16(24)13-14(12-15)22-20(26)19-17-8-2-3-9-18(17)25(23-19)11-5-10-21/h2-3,8-9,14-16H,4-7,10-13,21H2,1H3,(H,22,26)/t15-,16-/m0/s1
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1.89n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
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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2.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


Article DOI: 10.1021/jm00057a011
BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307818
PNG
(5-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2ccc(O)cc12
Show InChI InChI=1S/C18H24N4O2/c1-21-12-4-3-5-13(21)9-11(8-12)19-18(24)17-15-10-14(23)6-7-16(15)22(2)20-17/h6-7,10-13,23H,3-5,8-9H2,1-2H3,(H,19,24)/t12-,13-/m0/s1
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7.30n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307816
PNG
(4-Methoxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES COc1cccc2n(C)nc(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c12
Show InChI InChI=1S/C19H26N4O2/c1-22-13-6-4-7-14(22)11-12(10-13)20-19(24)18-17-15(23(2)21-18)8-5-9-16(17)25-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,20,24)/t13-,14-/m0/s1
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26.3n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307827
PNG
(1-Methyl-N-[(3-endo)-9-(phenylmethyl)-9-azabicyclo...)
Show SMILES Cn1nc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H28N4O/c1-27-22-13-6-5-12-21(22)23(26-27)24(29)25-18-14-19-10-7-11-20(15-18)28(19)16-17-8-3-2-4-9-17/h2-6,8-9,12-13,18-20H,7,10-11,14-16H2,1H3,(H,25,29)/t19-,20-/m0/s1
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59.3n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50388688
PNG
(CHEMBL550064)
Show SMILES CC(C)n1nc(C(=O)NC2C[C@H]3CC[C@H](C2)N3)c2ccccc12
Show InChI InChI=1S/C18H24N4O/c1-11(2)22-16-6-4-3-5-15(16)17(21-22)18(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23)/t12-,13-/m1/s1
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63.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 4849-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50388688
PNG
(CHEMBL550064)
Show SMILES CC(C)n1nc(C(=O)NC2C[C@H]3CC[C@H](C2)N3)c2ccccc12
Show InChI InChI=1S/C18H24N4O/c1-11(2)22-16-6-4-3-5-15(16)17(21-22)18(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23)/t12-,13-/m1/s1
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63.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307825
PNG
(7-Methoxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES COc1cccc2c(nn(C)c12)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C
Show InChI InChI=1S/C19H26N4O2/c1-22-13-6-4-7-14(22)11-12(10-13)20-19(24)17-15-8-5-9-16(25-3)18(15)23(2)21-17/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,20,24)/t13-,14-/m0/s1
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71.1n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307822
PNG
(6-Methoxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES COc1ccc2c(nn(C)c2c1)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C
Show InChI InChI=1S/C19H26N4O2/c1-22-13-5-4-6-14(22)10-12(9-13)20-19(24)18-16-8-7-15(25-3)11-17(16)23(2)21-18/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,20,24)/t13-,14-/m0/s1
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237n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307821
PNG
(6-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2cc(O)ccc12
Show InChI InChI=1S/C18H24N4O2/c1-21-12-4-3-5-13(21)9-11(8-12)19-18(24)17-15-7-6-14(23)10-16(15)22(2)20-17/h6-7,10-13,23H,3-5,8-9H2,1-2H3,(H,19,24)/t12-,13-/m0/s1
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279n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM84739
PNG
(CAS_109216-58-2 | LY 278584 | NSC_3970)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1nn(C)c2ccccc12
Show InChI InChI=1S/C17H22N4O/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)16-14-5-3-4-6-15(14)21(2)19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)
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1.00E+3n/an/an/an/an/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database




J Biol Chem 268: 18200-4 (1993)


Article DOI: 10.1021/cb500917m
BindingDB Entry DOI: 10.7270/Q2V1239R
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM84739
PNG
(CAS_109216-58-2 | LY 278584 | NSC_3970)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1nn(C)c2ccccc12
Show InChI InChI=1S/C17H22N4O/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)16-14-5-3-4-6-15(14)21(2)19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)
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1.00E+3n/an/an/an/an/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database




J Biol Chem 268: 18200-4 (1993)


Article DOI: 10.1021/cb500917m
BindingDB Entry DOI: 10.7270/Q2V1239R
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452751
PNG
(CHEMBL39109)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1n(C)nc2ccccc12
Show InChI InChI=1S/C17H22N4O/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)16-14-5-3-4-6-15(14)19-21(16)2/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)
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1.05E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membranes using [3H]- 1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-a...


J Med Chem 33: 3176-81 (1991)


Article DOI: 10.1021/jm00174a013
BindingDB Entry DOI: 10.7270/Q2TM7BQG
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452751
PNG
(CHEMBL39109)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1n(C)nc2ccccc12
Show InChI InChI=1S/C17H22N4O/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)16-14-5-3-4-6-15(14)19-21(16)2/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)
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1.05E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membranes using [3H]- 1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-a...


J Med Chem 33: 3176-81 (1991)


Article DOI: 10.1021/jm00174a013
BindingDB Entry DOI: 10.7270/Q2TM7BQG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307819
PNG
(5-Methoxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES COc1ccc2n(C)nc(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c2c1
Show InChI InChI=1S/C19H26N4O2/c1-22-13-5-4-6-14(22)10-12(9-13)20-19(24)18-16-11-15(25-3)7-8-17(16)23(2)21-18/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,20,24)/t13-,14-/m0/s1
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5.31E+3n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50388688
PNG
(CHEMBL550064)
Show SMILES CC(C)n1nc(C(=O)NC2C[C@H]3CC[C@H](C2)N3)c2ccccc12
Show InChI InChI=1S/C18H24N4O/c1-11(2)22-16-6-4-3-5-15(16)17(21-22)18(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23)/t12-,13-/m1/s1
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n/an/an/an/a 39.8n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT4C receptor expressed in HEK293 cells assessed as acumulation of cAMP by flash plate adenylyl cyclase activation assay


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
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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n/an/a 3.80E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of partially open human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel)


Bioorg Med Chem Lett 15: 1737-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.008
BindingDB Entry DOI: 10.7270/Q2FT8NCR
More data for this
Ligand-Target Pair