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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50006160   
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 2B


(Homo sapiens (Human))
BDBM50497430
PNG
(CHEMBL3343668)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]3)c2c1
Show InChI InChI=1S/C17H15N3O/c18-16(19)20-15(21)10-5-6-12-11-3-1-2-4-13(11)17(7-8-17)14(12)9-10/h1-6,9H,7-8H2,(H4,18,19,20,21)
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0.510n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497426
PNG
(CHEMBL3343666)
Show SMILES Cl.[#6]-[#6]C1([#8]-[#6])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C18H19N3O2.ClH/c1-3-18(23-2)14-7-5-4-6-12(14)13-9-8-11(10-15(13)18)16(22)21-17(19)20;/h4-10H,3H2,1-2H3,(H4,19,20,21,22);1H
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0.600n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497422
PNG
(CHEMBL3343667)
Show SMILES Cl.[#6]-[#8]-[#6]C1([#8]-[#6])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C18H19N3O3.ClH/c1-23-10-18(24-2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)18)16(22)21-17(19)20;/h3-9H,10H2,1-2H3,(H4,19,20,21,22);1H
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0.760n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497424
PNG
(CHEMBL3343663)
Show SMILES Cl.[#6]-[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C17H17N3O2.ClH/c1-2-17(22)13-6-4-3-5-11(13)12-8-7-10(9-14(12)17)15(21)20-16(18)19;/h3-9,22H,2H2,1H3,(H4,18,19,20,21);1H
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1.20n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497427
PNG
(CHEMBL3343671)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#8]-[#6]-[#6]3)c2c1
Show InChI InChI=1S/C19H19N3O2/c20-18(21)22-17(23)12-5-6-14-13-3-1-2-4-15(13)19(16(14)11-12)7-9-24-10-8-19/h1-6,11H,7-10H2,(H4,20,21,22,23)
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1.30n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497425
PNG
(CHEMBL3343665)
Show SMILES Cl.[#6]-[#8]C1([#6])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C17H17N3O2.ClH/c1-17(22-2)13-6-4-3-5-11(13)12-8-7-10(9-14(12)17)15(21)20-16(18)19;/h3-9H,1-2H3,(H4,18,19,20,21);1H
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1.40n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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1.70n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497432
PNG
(CHEMBL3343669)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#6]3)c2c1
Show InChI InChI=1S/C19H19N3O/c20-18(21)22-17(23)12-7-8-14-13-5-1-2-6-15(13)19(16(14)11-12)9-3-4-10-19/h1-2,5-8,11H,3-4,9-10H2,(H4,20,21,22,23)
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1.70n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497432
PNG
(CHEMBL3343669)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#6]3)c2c1
Show InChI InChI=1S/C19H19N3O/c20-18(21)22-17(23)12-7-8-14-13-5-1-2-6-15(13)19(16(14)11-12)9-3-4-10-19/h1-2,5-8,11H,3-4,9-10H2,(H4,20,21,22,23)
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1.80n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497422
PNG
(CHEMBL3343667)
Show SMILES Cl.[#6]-[#8]-[#6]C1([#8]-[#6])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C18H19N3O3.ClH/c1-23-10-18(24-2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)18)16(22)21-17(19)20;/h3-9H,10H2,1-2H3,(H4,19,20,21,22);1H
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2n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497431
PNG
(CHEMBL3343672)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
Show InChI InChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497431
PNG
(CHEMBL3343672)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
Show InChI InChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497425
PNG
(CHEMBL3343665)
Show SMILES Cl.[#6]-[#8]C1([#6])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C17H17N3O2.ClH/c1-17(22-2)13-6-4-3-5-11(13)12-8-7-10(9-14(12)17)15(21)20-16(18)19;/h3-9H,1-2H3,(H4,18,19,20,21);1H
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3.30n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50045488
PNG
(CHEMBL3310123)
Show SMILES Cl.[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C16H15N3O2/c1-16(21)12-5-3-2-4-10(12)11-7-6-9(8-13(11)16)14(20)19-15(17)18/h2-8,21H,1H3,(H4,17,18,19,20)
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4.30n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045488
PNG
(CHEMBL3310123)
Show SMILES Cl.[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C16H15N3O2/c1-16(21)12-5-3-2-4-10(12)11-7-6-9(8-13(11)16)14(20)19-15(17)18/h2-8,21H,1H3,(H4,17,18,19,20)
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4.30n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497426
PNG
(CHEMBL3343666)
Show SMILES Cl.[#6]-[#6]C1([#8]-[#6])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C18H19N3O2.ClH/c1-3-18(23-2)14-7-5-4-6-12(14)13-9-8-11(10-15(13)18)16(22)21-17(19)20;/h4-10H,3H2,1-2H3,(H4,19,20,21,22);1H
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4.80n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497430
PNG
(CHEMBL3343668)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]3)c2c1
Show InChI InChI=1S/C17H15N3O/c18-16(19)20-15(21)10-5-6-12-11-3-1-2-4-13(11)17(7-8-17)14(12)9-10/h1-6,9H,7-8H2,(H4,18,19,20,21)
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4.90n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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5.10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497428
PNG
(CHEMBL3343673)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
Show InChI InChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497428
PNG
(CHEMBL3343673)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
Show InChI InChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497427
PNG
(CHEMBL3343671)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#8]-[#6]-[#6]3)c2c1
Show InChI InChI=1S/C19H19N3O2/c20-18(21)22-17(23)12-5-6-14-13-3-1-2-4-15(13)19(16(14)11-12)7-9-24-10-8-19/h1-6,11H,7-10H2,(H4,20,21,22,23)
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9.10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497429
PNG
(CHEMBL3343664)
Show SMILES Cl.[#6]-[#6]-[#6]-[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C19H21N3O2.ClH/c1-2-3-10-19(24)15-7-5-4-6-13(15)14-9-8-12(11-16(14)19)17(23)22-18(20)21;/h4-9,11,24H,2-3,10H2,1H3,(H4,20,21,22,23);1H
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31n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497424
PNG
(CHEMBL3343663)
Show SMILES Cl.[#6]-[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C17H17N3O2.ClH/c1-2-17(22)13-6-4-3-5-11(13)12-8-7-10(9-14(12)17)15(21)20-16(18)19;/h3-9,22H,2H2,1H3,(H4,18,19,20,21);1H
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41n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497429
PNG
(CHEMBL3343664)
Show SMILES Cl.[#6]-[#6]-[#6]-[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C19H21N3O2.ClH/c1-2-3-10-19(24)15-7-5-4-6-13(15)14-9-8-12(11-16(14)19)17(23)22-18(20)21;/h4-9,11,24H,2-3,10H2,1H3,(H4,20,21,22,23);1H
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>100n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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152n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Binding affinity to serotonin 5-HT2C receptor (unknown origin)


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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>1.00E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M5 receptor (unknown origin)


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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>1.00E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Binding affinity to serotonin 5-HT2A receptor (unknown origin)


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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>1.00E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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>1.00E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha1-adrenergic receptor (unknown origin)


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497431
PNG
(CHEMBL3343672)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
Show InChI InChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 receptor expressed in CHO cells assessed as cAMP production by EIA system


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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n/an/a 16n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 receptor expressed in CHO cells assessed as cAMP production by EIA system


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497431
PNG
(CHEMBL3343672)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
Show InChI InChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2B receptor expressed in HEK293 cells assessed as [3H]PI metabolism


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497428
PNG
(CHEMBL3343673)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
Show InChI InChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 receptor expressed in CHO cells assessed as cAMP production by EIA system


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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n/an/a 55n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2B receptor expressed in HEK293 cells assessed as [3H]PI metabolism


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497428
PNG
(CHEMBL3343673)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3[C@]3([#6]-[#6]-[#6]-[#8]3)c2c1 |r|
Show InChI InChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2B receptor expressed in HEK293 cells assessed as [3H]PI metabolism


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair