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9 similar compounds to monomer 50045479

Compile data set for download or QSAR
Wt: 267.2
BDBM50045477
Wt: 338.1
BDBM50045478
Wt: 317.7
BDBM50045488
Wt: 333.7
BDBM50045492
Wt: 317.7
BDBM50045493
Wt: 338.1
BDBM50045495
Wt: 295.3
BDBM50045496
Wt: 317.7
BDBM50045480
Wt: 338.1
BDBM50045494

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50045477,50045478,50045488,50045492,50045493,50045495,50045496,50045480,50045494   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045494
PNG
(CHEMBL3310115)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1c-2cccc1Cl
Show InChI InChI=1/C15H12ClN3O2.ClH/c16-11-3-1-2-9-8-5-4-7(14(21)19-15(17)18)6-10(8)13(20)12(9)11;/h1-6,13,20H,(H4,17,18,19,21);1H
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0.110n/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-EBNA cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045493
PNG
(CHEMBL3310116)
Show SMILES Cl.Cc1cccc2-c3ccc(cc3C(O)c12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/c1-8-3-2-4-11-10-6-5-9(15(21)19-16(17)18)7-12(10)14(20)13(8)11;/h2-7,14,20H,1H3,(H4,17,18,19,21);1H
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0.670n/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-EBNA cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045480
PNG
(CHEMBL3310111)
Show SMILES Cl.Cc1cccc2C(O)c3cc(ccc3-c12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/c1-8-3-2-4-11-13(8)10-6-5-9(7-12(10)14(11)20)15(21)19-16(17)18;/h2-7,14,20H,1H3,(H4,17,18,19,21);1H
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0.810n/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-EBNA cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045478
PNG
(CHEMBL3310109)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1cccc(Cl)c-21
Show InChI InChI=1/C15H12ClN3O2.ClH/c16-11-3-1-2-9-12(11)8-5-4-7(6-10(8)13(9)20)14(21)19-15(17)18;/h1-6,13,20H,(H4,17,18,19,21);1H
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1.5n/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-EBNA cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045496
PNG
(CHEMBL3310113)
Show SMILES CCc1cccc2C(O)c3cc(ccc3-c12)C(=O)N=C(N)N
Show InChI InChI=1/C17H17N3O2/c1-2-9-4-3-5-12-14(9)11-7-6-10(8-13(11)15(12)21)16(22)20-17(18)19/h3-8,15,21H,2H2,1H3,(H4,18,19,20,22)
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1.60n/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-EBNA cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045477
PNG
(CHEMBL3139188)
Show SMILES NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1ccccc-21
Show InChI InChI=1/C15H13N3O2/c16-15(17)18-14(20)8-5-6-10-9-3-1-2-4-11(9)13(19)12(10)7-8/h1-7,13,19H,(H4,16,17,18,20)
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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]Mesulergine from human 5-HT2B receptor expressed in HEK293-EBNA cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045496
PNG
(CHEMBL3310113)
Show SMILES CCc1cccc2C(O)c3cc(ccc3-c12)C(=O)N=C(N)N
Show InChI InChI=1/C17H17N3O2/c1-2-9-4-3-5-12-14(9)11-7-6-10(8-13(11)15(12)21)16(22)20-17(18)19/h3-8,15,21H,2H2,1H3,(H4,18,19,20,22)
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4.10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045488
PNG
(CHEMBL3310123)
Show SMILES Cl.CC1(O)c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/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);1H
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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-EBNA cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045488
PNG
(CHEMBL3310123)
Show SMILES Cl.CC1(O)c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/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);1H
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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]HT from human 5-HT7 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045492
PNG
(CHEMBL3310117)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1cccc(CO)c-21
Show InChI InChI=1/C16H15N3O3.ClH/c17-16(18)19-15(22)8-4-5-10-12(6-8)14(21)11-3-1-2-9(7-20)13(10)11;/h1-6,14,20-21H,7H2,(H4,17,18,19,22);1H
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6.60n/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-EBNA cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045495
PNG
(CHEMBL3310114)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1ccc(Cl)cc-21
Show InChI InChI=1/C15H12ClN3O2.ClH/c16-8-2-4-10-11(6-8)9-3-1-7(5-12(9)13(10)20)14(21)19-15(17)18;/h1-6,13,20H,(H4,17,18,19,21);1H
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11n/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-EBNA cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045480
PNG
(CHEMBL3310111)
Show SMILES Cl.Cc1cccc2C(O)c3cc(ccc3-c12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/c1-8-3-2-4-11-13(8)10-6-5-9(7-12(10)14(11)20)15(21)19-16(17)18;/h2-7,14,20H,1H3,(H4,17,18,19,21);1H
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14n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045477
PNG
(CHEMBL3139188)
Show SMILES NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1ccccc-21
Show InChI InChI=1/C15H13N3O2/c16-15(17)18-14(20)8-5-6-10-9-3-1-2-4-11(9)13(19)12(10)7-8/h1-7,13,19H,(H4,16,17,18,20)
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18n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045494
PNG
(CHEMBL3310115)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1c-2cccc1Cl
Show InChI InChI=1/C15H12ClN3O2.ClH/c16-11-3-1-2-9-8-5-4-7(14(21)19-15(17)18)6-10(8)13(20)12(9)11;/h1-6,13,20H,(H4,17,18,19,21);1H
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33n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045478
PNG
(CHEMBL3310109)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1cccc(Cl)c-21
Show InChI InChI=1/C15H12ClN3O2.ClH/c16-11-3-1-2-9-12(11)8-5-4-7(6-10(8)13(9)20)14(21)19-15(17)18;/h1-6,13,20H,(H4,17,18,19,21);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]HT from human 5-HT7 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045492
PNG
(CHEMBL3310117)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1cccc(CO)c-21
Show InChI InChI=1/C16H15N3O3.ClH/c17-16(18)19-15(22)8-4-5-10-12(6-8)14(21)11-3-1-2-9(7-20)13(10)11;/h1-6,14,20-21H,7H2,(H4,17,18,19,22);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]HT from human 5-HT7 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045493
PNG
(CHEMBL3310116)
Show SMILES Cl.Cc1cccc2-c3ccc(cc3C(O)c12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/c1-8-3-2-4-11-10-6-5-9(15(21)19-16(17)18)7-12(10)14(20)13(8)11;/h2-7,14,20H,1H3,(H4,17,18,19,21);1H
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87n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045495
PNG
(CHEMBL3310114)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1ccc(Cl)cc-21
Show InChI InChI=1/C15H12ClN3O2.ClH/c16-8-2-4-10-11(6-8)9-3-1-7(5-12(9)13(10)20)14(21)19-15(17)18;/h1-6,13,20H,(H4,17,18,19,21);1H
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160n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50045488
PNG
(CHEMBL3310123)
Show SMILES Cl.CC1(O)c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/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);1H
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390n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50045488
PNG
(CHEMBL3310123)
Show SMILES Cl.CC1(O)c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/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);1H
MMDB

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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 5-HT2A receptor (unknown origin)


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50045488
PNG
(CHEMBL3310123)
Show SMILES Cl.CC1(O)c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/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);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: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50045488
PNG
(CHEMBL3310123)
Show SMILES Cl.CC1(O)c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/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);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 M1 receptor (unknown origin)


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045488
PNG
(CHEMBL3310123)
Show SMILES Cl.CC1(O)c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/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);1H
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n/an/a 52n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT2B receptor expressed in HEK293-EBNA cells assessed as [3H]PI metabolism by by liquid scintillation counting


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045488
PNG
(CHEMBL3310123)
Show SMILES Cl.CC1(O)c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O2.ClH/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);1H
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n/an/a 59n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT7 receptor expressed in CHO cells assessed as cAMP production by EIA system


Bioorg Med Chem 22: 4323-37 (2014)


Article DOI: 10.1016/j.bmc.2014.05.027
BindingDB Entry DOI: 10.7270/Q2X63PK3
More data for this
Ligand-Target Pair