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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'verheij' and Initial = 'mh'   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397290
PNG
(CHEMBL475331 | VUF-10147)
Show SMILES CN1CCN(CC1)c1nc(N)c2ccccc2n1
Show InChI InChI=1S/C13H17N5/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-5H,6-9H2,1H3,(H2,14,15,16)
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0.0513n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50053631
PNG
(2-(4-Methyl-piperazin-1-yl)-quinoline | 2-(4-methy...)
Show SMILES CN1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3
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0.457n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397307
PNG
(CHEMBL489062 | VUF-10349)
Show SMILES CNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C14H18ClN5/c1-16-13-11-9-10(15)3-4-12(11)17-14(18-13)20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H,16,17,18)
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1.12n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397291
PNG
(CHEMBL443764 | VUF-10249)
Show SMILES CN1CCN(CC1)c1ncc2ccccc2n1
Show InChI InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-14-10-11-4-2-3-5-12(11)15-13/h2-5,10H,6-9H2,1H3
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1.35n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397284
PNG
(CHEMBL2169970)
Show SMILES CN1CCN(CC1)c1cc(N)c2ccccc2n1
Show InChI InChI=1S/C14H18N4/c1-17-6-8-18(9-7-17)14-10-12(15)11-4-2-3-5-13(11)16-14/h2-5,10H,6-9H2,1H3,(H2,15,16)
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1.45n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50419048
PNG
(CHEMBL1824048)
Show SMILES CN1CCC(CC1)=Cc1nc2ccc(Cl)cc2[nH]1 |(32.19,-17.45,;31.42,-18.78,;32.19,-20.12,;31.43,-21.45,;29.89,-21.45,;29.11,-20.13,;29.88,-18.79,;29.13,-22.78,;27.59,-22.79,;26.69,-24.05,;25.22,-23.58,;23.88,-24.36,;22.54,-23.59,;22.55,-22.04,;21.21,-21.27,;23.87,-21.27,;25.21,-22.04,;26.67,-21.55,)|
Show InChI InChI=1S/C14H16ClN3/c1-18-6-4-10(5-7-18)8-14-16-12-3-2-11(15)9-13(12)17-14/h2-3,8-9H,4-7H2,1H3,(H,16,17)
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1.58n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397288
PNG
(CHEMBL2169966)
Show SMILES CN1CCN(CC1)c1cc2ccccc2cn1
Show InChI InChI=1S/C14H17N3/c1-16-6-8-17(9-7-16)14-10-12-4-2-3-5-13(12)11-15-14/h2-5,10-11H,6-9H2,1H3
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1.62n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397294
PNG
(CHEMBL489271 | VUF-10509)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccc(N)cc2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H23ClN6/c1-26-8-10-27(11-9-26)20-24-18-7-4-15(21)12-17(18)19(25-20)23-13-14-2-5-16(22)6-3-14/h2-7,12H,8-11,13,22H2,1H3,(H,23,24,25)
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2.69n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397292
PNG
(CHEMBL454890 | VUF-10499)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccoc2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN5O/c1-23-5-7-24(8-6-23)18-21-16-3-2-14(19)10-15(16)17(22-18)20-11-13-4-9-25-12-13/h2-4,9-10,12H,5-8,11H2,1H3,(H,20,21,22)
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2.82n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397289
PNG
(CHEMBL2169965)
Show SMILES CNc1nc(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C14H19N5/c1-15-13-11-5-3-4-6-12(11)16-14(17-13)19-9-7-18(2)8-10-19/h3-6H,7-10H2,1-2H3,(H,15,16,17)
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2.95n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50060682
PNG
(2-(4-Methyl-piperazin-1-yl)-quinoxaline | CHEMBL12...)
Show SMILES CN1CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-10-14-11-4-2-3-5-12(11)15-13/h2-5,10H,6-9H2,1H3
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4.68n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397283
PNG
(CHEMBL2169971)
Show SMILES CNc1nc(cc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C15H20N4/c1-16-15-13-6-4-3-5-12(13)11-14(17-15)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3,(H,16,17)
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5.89n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26390
PNG
(4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-ami...)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
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6.31n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397299
PNG
(CHEMBL489060 | VUF-10350)
Show SMILES CN(C)c1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C15H20ClN5/c1-19(2)14-12-10-11(16)4-5-13(12)17-15(18-14)21-8-6-20(3)7-9-21/h4-5,10H,6-9H2,1-3H3
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6.61n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397302
PNG
(CHEMBL2169890)
Show SMILES CN1CCN(CC1)c1ncc2cc(Cl)ccc2n1
Show InChI InChI=1S/C13H15ClN4/c1-17-4-6-18(7-5-17)13-15-9-10-8-11(14)2-3-12(10)16-13/h2-3,8-9H,4-7H2,1H3
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7.41n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397300
PNG
(CHEMBL473302 | VUF-10351)
Show SMILES CN1CCN(CC1)c1nc(N)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C13H16ClN5/c1-18-4-6-19(7-5-18)13-16-11-3-2-9(14)8-10(11)12(15)17-13/h2-3,8H,4-7H2,1H3,(H2,15,16,17)
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12.0n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50419047
PNG
(CHEMBL414183)
Show SMILES CN1CCN(CC1)c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)12-13(18)15-11-5-3-2-4-10(11)14-12/h2-5H,6-9H2,1H3,(H,15,18)
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12.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397285
PNG
(CHEMBL2169969)
Show SMILES CNc1cc(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C15H20N4/c1-16-14-11-15(19-9-7-18(2)8-10-19)17-13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3,(H,16,17)
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13.5n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397296
PNG
(CHEMBL490071 | VUF-10329)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccccc2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H22ClN5/c1-25-9-11-26(12-10-25)20-23-18-8-7-16(21)13-17(18)19(24-20)22-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,23,24)
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13.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397293
PNG
(CHEMBL489664 | VUF-10455)
Show SMILES CN1CCN(CC1)c1nc(NCCO)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C15H20ClN5O/c1-20-5-7-21(8-6-20)15-18-13-3-2-11(16)10-12(13)14(19-15)17-4-9-22/h2-3,10,22H,4-9H2,1H3,(H,17,18,19)
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14.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397308
PNG
(CHEMBL511699)
Show SMILES CNc1nc(nc2ccc(Cl)cc12)N1CCCN(C)CC1
Show InChI InChI=1S/C15H20ClN5/c1-17-14-12-10-11(16)4-5-13(12)18-15(19-14)21-7-3-6-20(2)8-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,17,18,19)
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18.2n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM81956
PNG
(AMI-098 | CAS_63211 | NSC_63211)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-5H,6-9H2,1H3,(H,14,15,18)
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46.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50419047
PNG
(CHEMBL414183)
Show SMILES CN1CCN(CC1)c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)12-13(18)15-11-5-3-2-4-10(11)14-12/h2-5H,6-9H2,1H3,(H,15,18)
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63.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26226
PNG
((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9|
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to H4R receptor


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26395
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 9 | 6-(p...)
Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1
Show InChI InChI=1S/C17H21N5/c18-17-20-15-13-6-2-1-4-12(13)5-3-7-14(15)16(21-17)22-10-8-19-9-11-22/h1-2,4,6,19H,3,5,7-11H2,(H2,18,20,21)
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to H4R receptor


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397295
PNG
(CHEMBL490072 | VUF-10453)
Show SMILES CN1CCN(CC1)c1nc(NCCc2ccccc2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H24ClN5/c1-26-11-13-27(14-12-26)21-24-19-8-7-17(22)15-18(19)20(25-21)23-10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,23,24,25)
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50326297
PNG
(3-((1H-imidazol-4-yl)methyl)pyridine | 3-(3H-Imida...)
Show SMILES C(c1cnc[nH]1)c1cccnc1
Show InChI InChI=1S/C9H9N3/c1-2-8(5-10-3-1)4-9-6-11-7-12-9/h1-3,5-7H,4H2,(H,11,12)
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397298
PNG
(CHEMBL490073 | VUF-10452)
Show SMILES CC(C)Nc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C16H22ClN5/c1-11(2)18-15-13-10-12(17)4-5-14(13)19-16(20-15)22-8-6-21(3)7-9-22/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,20)
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166n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50419051
PNG
(CHEMBL1824046)
Show SMILES CN1CCN(CC1)c1cc(ncn1)-c1ccccc1
Show InChI InChI=1S/C15H18N4/c1-18-7-9-19(10-8-18)15-11-14(16-12-17-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
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200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397281
PNG
(CHEMBL2169973)
Show SMILES CN1CCN(CC1)c1ccc2c(N)cccc2n1
Show InChI InChI=1S/C14H18N4/c1-17-7-9-18(10-8-17)14-6-5-11-12(15)3-2-4-13(11)16-14/h2-6H,7-10,15H2,1H3
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204n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397282
PNG
(CHEMBL2169972)
Show SMILES CN1CCN(CC1)c1cc2ccccc2c(N)n1
Show InChI InChI=1S/C14H18N4/c1-17-6-8-18(9-7-17)13-10-11-4-2-3-5-12(11)14(15)16-13/h2-5,10H,6-9H2,1H3,(H2,15,16)
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219n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50419046
PNG
(CHEMBL260565)
Show SMILES CN1CCN(CC1)c1ccc2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H16ClN3/c1-17-6-8-18(9-7-17)14-5-2-11-10-12(15)3-4-13(11)16-14/h2-5,10H,6-9H2,1H3
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251n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397280
PNG
(CHEMBL2169974)
Show SMILES CN1CCN(CC1)c1ccc2cccc(N)c2n1
Show InChI InChI=1S/C14H18N4/c1-17-7-9-18(10-8-17)13-6-5-11-3-2-4-12(15)14(11)16-13/h2-6H,7-10,15H2,1H3
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331n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397287
PNG
(CHEMBL2169967)
Show SMILES CN1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C14H17N3/c1-16-6-8-17(9-7-16)13-10-12-4-2-3-5-14(12)15-11-13/h2-5,10-11H,6-9H2,1H3
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407n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397306
PNG
(CHEMBL2169975)
Show SMILES CNc1nc(nc2ccc(Cl)cc12)N1CC(C1)N(C)C
Show InChI InChI=1S/C14H18ClN5/c1-16-13-11-6-9(15)4-5-12(11)17-14(18-13)20-7-10(8-20)19(2)3/h4-6,10H,7-8H2,1-3H3,(H,16,17,18)
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468n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397286
PNG
(CHEMBL2169968)
Show SMILES CN1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H18N2/c1-16-8-10-17(11-9-16)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3
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537n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397301
PNG
(CHEMBL471712 | VUF-10331)
Show SMILES CN1CCN(CC1)c1nc2ccc(Cl)cc2c(=O)[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13-15-11-3-2-9(14)8-10(11)12(19)16-13/h2-3,8H,4-7H2,1H3,(H,15,16,19)
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575n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50419046
PNG
(CHEMBL260565)
Show SMILES CN1CCN(CC1)c1ccc2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H16ClN3/c1-17-6-8-18(9-7-17)14-5-2-11-10-12(15)3-4-13(11)16-14/h2-5,10H,6-9H2,1H3
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50419043
PNG
(CHEMBL17740)
Show SMILES C(Cc1cnc[nH]1)NCc1ccccc1
Show InChI InChI=1S/C12H15N3/c1-2-4-11(5-3-1)8-13-7-6-12-9-14-10-15-12/h1-5,9-10,13H,6-8H2,(H,14,15)
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50419049
PNG
(CHEMBL1824228)
Show SMILES C(C1CCCCC1)c1cnc[nH]1
Show InChI InChI=1S/C10H16N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h7-9H,1-6H2,(H,11,12)
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631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in SK-N-MC cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50419045
PNG
(CHEMBL1824047)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1ccccc1
Show InChI InChI=1S/C10H15N3/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,11,12,13)
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50419048
PNG
(CHEMBL1824048)
Show SMILES CN1CCC(CC1)=Cc1nc2ccc(Cl)cc2[nH]1 |(32.19,-17.45,;31.42,-18.78,;32.19,-20.12,;31.43,-21.45,;29.89,-21.45,;29.11,-20.13,;29.88,-18.79,;29.13,-22.78,;27.59,-22.79,;26.69,-24.05,;25.22,-23.58,;23.88,-24.36,;22.54,-23.59,;22.55,-22.04,;21.21,-21.27,;23.87,-21.27,;25.21,-22.04,;26.67,-21.55,)|
Show InChI InChI=1S/C14H16ClN3/c1-18-6-4-10(5-7-18)8-14-16-12-3-2-11(15)9-13(12)17-14/h2-3,8-9H,4-7H2,1H3,(H,16,17)
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in SK-N-MC cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50419050
PNG
(CHEMBL27453)
Show SMILES Clc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C10H12ClN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9,12H,5-7H2
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794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50419044
PNG
(CHEMBL148204)
Show SMILES Nc1ccc2cc3ccccc3nc2c1
Show InChI InChI=1S/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2
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1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50419049
PNG
(CHEMBL1824228)
Show SMILES C(C1CCCCC1)c1cnc[nH]1
Show InChI InChI=1S/C10H16N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h7-9H,1-6H2,(H,11,12)
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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM26390
PNG
(4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-ami...)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
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1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397305
PNG
(CHEMBL461360)
Show SMILES CNc1nc(nc2ccc(Cl)cc12)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C13H16ClN5/c1-16-12-10-6-8(14)2-3-11(10)17-13(18-12)19-5-4-9(15)7-19/h2-3,6,9H,4-5,7,15H2,1H3,(H,16,17,18)/t9-/m0/s1
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2.34E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397304
PNG
(CHEMBL461729)
Show SMILES CNc1nc(nc2ccc(Cl)cc12)N1CC2CCCNC2C1
Show InChI InChI=1S/C16H20ClN5/c1-18-15-12-7-11(17)4-5-13(12)20-16(21-15)22-8-10-3-2-6-19-14(10)9-22/h4-5,7,10,14,19H,2-3,6,8-9H2,1H3,(H,18,20,21)
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3.55E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397303
PNG
(CHEMBL462417)
Show SMILES CNc1nc(NCCC2CCN(C)C2)nc2ccc(Cl)cc12
Show InChI InChI=1S/C16H22ClN5/c1-18-15-13-9-12(17)3-4-14(13)20-16(21-15)19-7-5-11-6-8-22(2)10-11/h3-4,9,11H,5-8,10H2,1-2H3,(H2,18,19,20,21)
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1.17E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50397297
PNG
(CHEMBL489061 | VUF-10508)
Show SMILES CN1CCN(CC1)c1nc(NCC2CCCCC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H28ClN5/c1-25-9-11-26(12-10-25)20-23-18-8-7-16(21)13-17(18)19(24-20)22-14-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,22,23,24)
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1.66E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair