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Compile Data Set for Download or QSAR

Found 62 hits of ph data with Target = 'Serotonin 3 (5-HT3) receptor'   
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))
BDBM92414
PNG
(PU01)
Show SMILES Nc1nc(SCc2cccc3ccccc23)c2[nH]cnc2n1
Show InChI InChI=1S/C16H13N5S/c17-16-20-14-13(18-9-19-14)15(21-16)22-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H3,17,18,19,20,21)
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n/an/a 490n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92440
PNG
(PY05)
Show SMILES Cc1cc(C)c2c(n1)sc1c(SCc3ccccc3)nc(C)nc21
Show InChI InChI=1S/C19H17N3S2/c1-11-9-12(2)20-18-15(11)16-17(24-18)19(22-13(3)21-16)23-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
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n/an/a 1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92416
PNG
(PU03)
Show SMILES Clc1ccccc1CSc1ncnc2nc[nH]c12
Show InChI InChI=1S/C12H9ClN4S/c13-9-4-2-1-3-8(9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)
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n/an/a 2.80E+3n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92417
PNG
(PU04)
Show SMILES C(Sc1ncnc2nc[nH]c12)c1ccc2OCOc2c1
Show InChI InChI=1S/C13H10N4O2S/c1-2-9-10(19-7-18-9)3-8(1)4-20-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6H,4,7H2,(H,14,15,16,17)
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n/an/a 1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92418
PNG
(PU05)
Show SMILES C(Sc1ncnc2nc[nH]c12)c1ccccc1
Show InChI InChI=1S/C12H10N4S/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)
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n/an/a 3.00E+4n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92419
PNG
(PU06)
Show SMILES Nc1ncnc2nc(SCc3ccccc3Cl)[nH]c12
Show InChI InChI=1S/C12H10ClN5S/c13-8-4-2-1-3-7(8)5-19-12-17-9-10(14)15-6-16-11(9)18-12/h1-4,6H,5H2,(H3,14,15,16,17,18)
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92420
PNG
(PU07)
Show SMILES Cc1ccccc1CSc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H10N4OS/c1-8-4-2-3-5-9(8)6-19-13-16-11-10(12(18)17-13)14-7-15-11/h2-5,7H,6H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92421
PNG
(PU08)
Show SMILES CSc1ncnc2nc[nH]c12
Show InChI InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92422
PNG
(CHEMBL407391 | PU09)
Show SMILES CN(C)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92423
PNG
(PU10)
Show SMILES Cc1ncnc2nc[nH]c12
Show InChI InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92424
PNG
(TH01)
Show SMILES Fc1ccccc1CSc1ncnc2sc3CCCCc3c12
Show InChI InChI=1S/C17H15FN2S2/c18-13-7-3-1-5-11(13)9-21-16-15-12-6-2-4-8-14(12)22-17(15)20-10-19-16/h1,3,5,7,10H,2,4,6,8-9H2
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n/an/a 1.20E+4n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92425
PNG
(TH02)
Show SMILES C(Sc1ncnc2sc3CCCCc3c12)c1ccccc1
Show InChI InChI=1S/C17H16N2S2/c1-2-6-12(7-3-1)10-20-16-15-13-8-4-5-9-14(13)21-17(15)19-11-18-16/h1-3,6-7,11H,4-5,8-10H2
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n/an/a 1.40E+4n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92426
PNG
(TH03)
Show SMILES C(Sc1ncnc2sc3CCCc3c12)c1ccccc1
Show InChI InChI=1S/C16H14N2S2/c1-2-5-11(6-3-1)9-19-15-14-12-7-4-8-13(12)20-16(14)18-10-17-15/h1-3,5-6,10H,4,7-9H2
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n/an/a 3.00E+4n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92427
PNG
(TH04)
Show SMILES C(Sc1ncnc2scc(-c3ccccc3)c12)c1ccccc1
Show InChI InChI=1S/C19H14N2S2/c1-3-7-14(8-4-1)11-22-18-17-16(15-9-5-2-6-10-15)12-23-19(17)21-13-20-18/h1-10,12-13H,11H2
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n/an/a 1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92428
PNG
(TH05)
Show SMILES Cc1sc2ncnc(SCc3c(Cl)cccc3Cl)c2c1C
Show InChI InChI=1S/C15H12Cl2N2S2/c1-8-9(2)21-15-13(8)14(18-7-19-15)20-6-10-11(16)4-3-5-12(10)17/h3-5,7H,6H2,1-2H3
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n/an/a 3.00E+4n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92429
PNG
(TH06)
Show SMILES Cc1sc2ncnc(SCc3ccc(C)cc3)c2c1C
Show InChI InChI=1S/C16H16N2S2/c1-10-4-6-13(7-5-10)8-19-15-14-11(2)12(3)20-16(14)18-9-17-15/h4-7,9H,8H2,1-3H3
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n/an/a 3.00E+4n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM56655
PNG
(4-(benzylthio)thieno[2,3-d]pyrimidine | 4-(phenylm...)
Show SMILES C(Sc1ncnc2sccc12)c1ccccc1
Show InChI InChI=1S/C13H10N2S2/c1-2-4-10(5-3-1)8-17-13-11-6-7-16-12(11)14-9-15-13/h1-7,9H,8H2
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n/an/a 9.00E+3n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92430
PNG
(TH08)
Show SMILES Cc1cc2c(NCc3ccccc3)ncnc2s1
Show InChI InChI=1S/C14H13N3S/c1-10-7-12-13(16-9-17-14(12)18-10)15-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,15,16,17)
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92431
PNG
(TH09)
Show SMILES Cc1nc(SCc2ccccc2)c2cc(sc2n1)-c1ccccc1
Show InChI InChI=1S/C20H16N2S2/c1-14-21-19(23-13-15-8-4-2-5-9-15)17-12-18(24-20(17)22-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3
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University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92432
PNG
(TH10)
Show SMILES CC(=O)CSc1ncnc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2OS2/c1-10(18)8-19-14-12-7-13(11-5-3-2-4-6-11)20-15(12)17-9-16-14/h2-7,9H,8H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92433
PNG
(TH11)
Show SMILES O=Cc1ccc(Oc2ncnc3sc(cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C19H12N2O2S/c22-11-13-6-8-15(9-7-13)23-18-16-10-17(14-4-2-1-3-5-14)24-19(16)21-12-20-18/h1-12H
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92434
PNG
(TH12)
Show SMILES CNc1ncnc2sc(C)c(C)c12
Show InChI InChI=1S/C9H11N3S/c1-5-6(2)13-9-7(5)8(10-3)11-4-12-9/h4H,1-3H3,(H,10,11,12)
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92435
PNG
(TH13)
Show SMILES CSc1ncnc2sc(C)cc12
Show InChI InChI=1S/C8H8N2S2/c1-5-3-6-7(11-2)9-4-10-8(6)12-5/h3-4H,1-2H3
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92436
PNG
(PY01)
Show SMILES CCOc1ccc(CSc2ncnc(SCc3ccc(OCC)cc3)c2N)cc1
Show InChI InChI=1S/C22H25N3O2S2/c1-3-26-18-9-5-16(6-10-18)13-28-21-20(23)22(25-15-24-21)29-14-17-7-11-19(12-8-17)27-4-2/h5-12,15H,3-4,13-14,23H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92437
PNG
(PY02)
Show SMILES CC(=O)c1c(N)nc(nc1SCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N3OS/c1-13(23)16-17(20)21-18(15-10-6-3-7-11-15)22-19(16)24-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H2,20,21,22)
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n/an/a 3.00E+4n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92438
PNG
(PY03)
Show SMILES Fc1ccccc1CSc1ncnc2c3ccccc3oc12
Show InChI InChI=1S/C17H11FN2OS/c18-13-7-3-1-5-11(13)9-22-17-16-15(19-10-20-17)12-6-2-4-8-14(12)21-16/h1-8,10H,9H2
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n/an/a>1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92439
PNG
(PY04)
Show SMILES CN(C)c1ccnc2sc3c(SCc4ccc(Cl)cc4)ncnc3c12
Show InChI InChI=1S/C18H15ClN4S2/c1-23(2)13-7-8-20-17-14(13)15-16(25-17)18(22-10-21-15)24-9-11-3-5-12(19)6-4-11/h3-8,10H,9H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM92415
PNG
(PU02)
Show SMILES C(Sc1ncnc2nc[nH]c12)c1cccc2ccccc12
Show InChI InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20)
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n/an/a 1.30E+3n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334453
PNG
((S)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrro...)
Show SMILES Cn1cc2CN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C18H21N3O/c1-19-9-13-10-21(16-11-20-7-5-12(16)6-8-20)18(22)14-3-2-4-15(19)17(13)14/h2-4,9,12,16H,5-8,10-11H2,1H3/t16-/m1/s1
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Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334442
PNG
((S)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)
Show SMILES Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23
Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m1/s1
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Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM99936
PNG
(US8501729, 32)
Show SMILES O=C1N(CCc2cn(Cc3ccccc3)c3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C25H27N3O/c29-25-21-7-4-8-22-24(21)20(16-27(22)15-18-5-2-1-3-6-18)11-14-28(25)23-17-26-12-9-19(23)10-13-26/h1-8,16,19,23H,9-15,17H2/t23-/m1/s1
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1n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM99935
PNG
(US8501729, 31)
Show SMILES Cn1cc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C19H23N3O/c1-20-11-14-7-10-22(17-12-21-8-5-13(17)6-9-21)19(23)15-3-2-4-16(20)18(14)15/h2-4,11,13,17H,5-10,12H2,1H3/t17-/m1/s1
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1n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM99930
PNG
(US8501729, 25)
Show SMILES CCn1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C19H24N4O/c1-2-23-16-5-3-4-14-18(16)15(20-23)8-11-22(19(14)24)17-12-21-9-6-13(17)7-10-21/h3-5,13,17H,2,6-12H2,1H3/t17-/m1/s1
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1n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM99926
PNG
(US8501729, 21)
Show SMILES Brc1cc2[nH][nH]c3cn([C@H]4CN5CCC4CC5)c(=O)c(c1)c23
Show InChI InChI=1S/C16H15BrN4O/c17-10-5-11-15-12(6-10)18-19-13(15)7-21(16(11)22)14-8-20-3-1-9(14)2-4-20/h5-7,9,14H,1-4,8H2/t14-/m0/s1
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1n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334445
PNG
((S)-2-ethyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazo...)
Show SMILES CCn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23
Show InChI InChI=1S/C18H22N4O/c1-2-22-15-5-3-4-13-17(15)14(19-22)10-21(18(13)23)16-11-20-8-6-12(16)7-9-20/h3-5,10,12,16,19H,2,6-9,11H2,1H3/t16-/m1/s1
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Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334439
PNG
((R)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)
Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23
Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m0/s1
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2n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334447
PNG
((S)-2-isopropyl-7-(quinuclidin-3-yl)-7,8-dihydropy...)
Show SMILES CC(C)n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23
Show InChI InChI=1S/C19H24N4O/c1-12(2)23-16-5-3-4-14-18(16)15(20-23)10-22(19(14)24)17-11-21-8-6-13(17)7-9-21/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3/t17-/m1/s1
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Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334448
PNG
((S)-2-isobutyl-7-(quinuclidin-3-yl)-7,8-dihydropyr...)
Show SMILES CC(C)Cn1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23
Show InChI InChI=1S/C20H26N4O/c1-13(2)10-24-17-5-3-4-15-19(17)16(21-24)11-23(20(15)25)18-12-22-8-6-14(18)7-9-22/h3-5,11,13-14,18,21H,6-10,12H2,1-2H3/t18-/m1/s1
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2n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM99932
PNG
(US8501729, 27)
Show SMILES O=C1N(CCc2nn(Cc3ccccc3)c3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C24H26N4O/c29-24-19-7-4-8-21-23(19)20(25-28(21)15-17-5-2-1-3-6-17)11-14-27(24)22-16-26-12-9-18(22)10-13-26/h1-8,18,22H,9-16H2/t22-/m1/s1
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2n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM99931
PNG
(US8501729, 26)
Show SMILES CC(C)n1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C20H26N4O/c1-13(2)24-17-5-3-4-15-19(17)16(21-24)8-11-23(20(15)25)18-12-22-9-6-14(18)7-10-22/h3-5,13-14,18H,6-12H2,1-2H3/t18-/m1/s1
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2n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM99929
PNG
(US8501729, 24)
Show SMILES Cn1nc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C18H22N4O/c1-20-15-4-2-3-13-17(15)14(19-20)7-10-22(18(13)23)16-11-21-8-5-12(16)6-9-21/h2-4,12,16H,5-11H2,1H3/t16-/m1/s1
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2n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334444
PNG
((R)-2-ethyl-7-(quinuclidin-3-yl)-7,8-dihydropyrazo...)
Show SMILES CCn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23
Show InChI InChI=1S/C18H22N4O/c1-2-22-15-5-3-4-13-17(15)14(19-22)10-21(18(13)23)16-11-20-8-6-12(16)7-9-20/h3-5,10,12,16,19H,2,6-9,11H2,1H3/t16-/m0/s1
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2n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334443
PNG
((R)-4-fluoro-2-methyl-7-(quinuclidin-3-yl)-7,8-dih...)
Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cc(F)cc1c23
Show InChI InChI=1S/C17H19FN4O/c1-20-14-7-11(18)6-12-16(14)13(19-20)8-22(17(12)23)15-9-21-4-2-10(15)3-5-21/h6-8,10,15,19H,2-5,9H2,1H3/t15-/m0/s1
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2n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM99934
PNG
(US8501729, 29)
Show SMILES O=C1N(CCc2n[nH]c3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1
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3n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334446
PNG
((R)-2-isopropyl-7-(quinuclidin-3-yl)-7,8-dihydropy...)
Show SMILES CC(C)n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23
Show InChI InChI=1S/C19H24N4O/c1-12(2)23-16-5-3-4-14-18(16)15(20-23)10-22(19(14)24)17-11-21-8-6-13(17)7-9-21/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3/t17-/m0/s1
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3n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM99928
PNG
(US8501729, 23)
Show SMILES O=C1N(CCc2n[nH]c3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1
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4n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334449
PNG
((R)-2-benzyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)
Show SMILES O=c1n(cc2[nH]n(Cc3ccccc3)c3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C23H24N4O/c28-23-18-7-4-8-20-22(18)19(24-27(20)13-16-5-2-1-3-6-16)14-26(23)21-15-25-11-9-17(21)10-12-25/h1-8,14,17,21,24H,9-13,15H2/t21-/m0/s1
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5n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334441
PNG
((S)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5...)
Show SMILES O=c1n(cc2[nH][nH]c3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H18N4O/c21-16-11-2-1-3-12-15(11)13(18-17-12)8-20(16)14-9-19-6-4-10(14)5-7-19/h1-3,8,10,14,17-18H,4-7,9H2/t14-/m1/s1
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5n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334440
PNG
((R)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5...)
Show SMILES O=c1n(cc2[nH][nH]c3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H18N4O/c21-16-11-2-1-3-12-15(11)13(18-17-12)8-20(16)14-9-19-6-4-10(14)5-7-19/h1-3,8,10,14,17-18H,4-7,9H2/t14-/m0/s1
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5n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50334451
PNG
((S)-2-(4-fluorophenyl)-7-(quinuclidin-3-yl)-7,8-di...)
Show SMILES Fc1ccc(cc1)-n1[nH]c2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23
Show InChI InChI=1S/C22H21FN4O/c23-15-4-6-16(7-5-15)27-19-3-1-2-17-21(19)18(24-27)12-26(22(17)28)20-13-25-10-8-14(20)9-11-25/h1-7,12,14,20,24H,8-11,13H2/t20-/m1/s1
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7n/an/an/an/an/an/a7.5n/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
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