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Compile Data Set for Download or QSAR

Found 5274 hits with Last Name = 'watanabe' and Initial = 't'   
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))
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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0.300n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50317865
PNG
(2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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0.430n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
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))
BDBM50045490
PNG
(CHEMBL3310714)
Show SMILES Cl.CCc1cccc2c1-c1ccc(cc1C2(C)O)C(=O)N=C(N)N
Show InChI InChI=1/C18H19N3O2.ClH/c1-3-10-5-4-6-13-15(10)12-8-7-11(16(22)21-17(19)20)9-14(12)18(13,2)23;/h4-9,23H,3H2,1-2H3,(H4,19,20,21,22);1H
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0.710n/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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22910
PNG
(4-(1H-imidazol-5-ylmethyl)pyridine | Immethridine)
Show SMILES C(c1cnc[nH]1)c1ccncc1
Show InChI InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)
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0.770n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
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))
BDBM50045486
PNG
(CHEMBL3310121)
Show SMILES Cl.NC(=N)NC(=O)c1ccc-2c(c1)C(F)c1ccccc-21
Show InChI InChI=1/C15H12FN3O.ClH/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)14(20)19-15(17)18;/h1-7,13H,(H4,17,18,19,20);1H
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0.900n/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))
BDBM50045482
PNG
(CHEMBL3310112)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1cccc(F)c-21
Show InChI InChI=1/C15H12FN3O2.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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0.910n/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))
BDBM50045489
PNG
(CHEMBL3310713)
Show SMILES Cl.Cc1cccc2c1-c1ccc(cc1C2(C)O)C(=O)N=C(N)N
Show InChI InChI=1/C17H17N3O2.ClH/c1-9-4-3-5-12-14(9)11-7-6-10(15(21)20-16(18)19)8-13(11)17(12,2)22;/h3-8,22H,1-2H3,(H4,18,19,20,21);1H
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1.10n/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-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))
BDBM50045479
PNG
(CHEMBL3310110)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1cc(Cl)ccc-21
Show InChI InChI=1/C15H12ClN3O2.ClH/c16-8-2-4-10-9-3-1-7(14(21)19-15(17)18)5-11(9)13(20)12(10)6-8;/h1-6,13,20H,(H4,17,18,19,21);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]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))
BDBM50045490
PNG
(CHEMBL3310714)
Show SMILES Cl.CCc1cccc2c1-c1ccc(cc1C2(C)O)C(=O)N=C(N)N
Show InChI InChI=1/C18H19N3O2.ClH/c1-3-10-5-4-6-13-15(10)12-8-7-11(16(22)21-17(19)20)9-14(12)18(13,2)23;/h4-9,23H,3H2,1-2H3,(H4,19,20,21,22);1H
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2.30n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82088
PNG
(CAS_15574-96-6 | NSC_27400 | PIZOTIFEN)
Show SMILES CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
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2.40n/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 21: 7841-52 (2013)


Article DOI: 10.1016/j.bmc.2013.10.010
BindingDB Entry DOI: 10.7270/Q2FN17N0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045489
PNG
(CHEMBL3310713)
Show SMILES Cl.Cc1cccc2c1-c1ccc(cc1C2(C)O)C(=O)N=C(N)N
Show InChI InChI=1/C17H17N3O2.ClH/c1-9-4-3-5-12-14(9)11-7-6-10(15(21)20-16(18)19)8-13(11)17(12,2)22;/h3-8,22H,1-2H3,(H4,18,19,20,21);1H
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4n/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))
BDBM50045487
PNG
(CHEMBL3310122)
Show SMILES Cl.CC1c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O.ClH/c1-9-11-4-2-3-5-12(11)13-7-6-10(8-14(9)13)15(20)19-16(17)18;/h2-9H,1H3,(H4,17,18,19,20);1H
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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 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 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))
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 2B


(Homo sapiens (Human))
BDBM50045487
PNG
(CHEMBL3310122)
Show SMILES Cl.CC1c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C16H15N3O.ClH/c1-9-11-4-2-3-5-12(11)13-7-6-10(8-14(9)13)15(20)19-16(17)18;/h2-9H,1H3,(H4,17,18,19,20);1H
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4.40n/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))
BDBM50045491
PNG
(CHEMBL3310118)
Show SMILES Cl.COCc1cccc2C(O)c3cc(ccc3-c12)C(=O)N=C(N)N
Show InChI InChI=1/C17H17N3O3.ClH/c1-23-8-10-3-2-4-12-14(10)11-6-5-9(7-13(11)15(12)21)16(22)20-17(18)19;/h2-7,15,21H,8H2,1H3,(H4,18,19,20,22);1H
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6.30n/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 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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326285
PNG
((S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1
Show InChI InChI=1/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/s2
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14n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326287
PNG
(2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)
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16n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50326289
PNG
(4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)
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17n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1
Show InChI InChI=1/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/s2
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18n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50045484
PNG
(CHEMBL3310120)
Show SMILES Cl.NC1c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C15H14N4O.ClH/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)14(20)19-15(17)18;/h1-7,13H,16H2,(H4,17,18,19,20);1H
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18n/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))
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))
BDBM50045482
PNG
(CHEMBL3310112)
Show SMILES Cl.NC(N)=NC(=O)c1ccc-2c(c1)C(O)c1cccc(F)c-21
Show InChI InChI=1/C15H12FN3O2.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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29n/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 2B


(Homo sapiens (Human))
BDBM50045483
PNG
(CHEMBL3310119)
Show SMILES Cl.CC(=O)NC1c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C17H16N4O2.ClH/c1-9(22)20-15-13-5-3-2-4-11(13)12-7-6-10(8-14(12)15)16(23)21-17(18)19;/h2-8,15H,1H3,(H,20,22)(H4,18,19,21,23);1H
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34n/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))
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))
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))
BDBM50045484
PNG
(CHEMBL3310120)
Show SMILES Cl.NC1c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C15H14N4O.ClH/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)14(20)19-15(17)18;/h1-7,13H,16H2,(H4,17,18,19,20);1H
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43n/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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1
Show InChI InChI=1/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/s2
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48n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045491
PNG
(CHEMBL3310118)
Show SMILES Cl.COCc1cccc2C(O)c3cc(ccc3-c12)C(=O)N=C(N)N
Show InChI InChI=1/C17H17N3O3.ClH/c1-23-8-10-3-2-4-12-14(10)11-6-5-9(7-13(11)15(12)21)16(22)20-17(18)19;/h2-7,15,21H,8H2,1H3,(H4,18,19,20,22);1H
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50n/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))
BDBM50045486
PNG
(CHEMBL3310121)
Show SMILES Cl.NC(=N)NC(=O)c1ccc-2c(c1)C(F)c1ccccc-21
Show InChI InChI=1/C15H12FN3O.ClH/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)14(20)19-15(17)18;/h1-7,13H,(H4,17,18,19,20);1H
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57n/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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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64n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326293
PNG
(2-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1/C17H14F3N3S/c18-17(19,20)12-4-6-13(7-5-12)24-10-14(16-9-21-11-23-16)15-3-1-2-8-22-15/h1-9,11,14H,10H2,(H,21,23)
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75n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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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76n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326294
PNG
(3-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1/C17H14F3N3S/c18-17(19,20)13-3-5-14(6-4-13)24-10-15(16-9-22-11-23-16)12-2-1-7-21-8-12/h1-9,11,15H,10H2,(H,22,23)
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120n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326295
PNG
(4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1/C20H23N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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130n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1
Show InChI InChI=1/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/s2
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180n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50045483
PNG
(CHEMBL3310119)
Show SMILES Cl.CC(=O)NC1c2ccccc2-c2ccc(cc12)C(=O)N=C(N)N
Show InChI InChI=1/C17H16N4O2.ClH/c1-9(22)20-15-13-5-3-2-4-11(13)12-7-6-10(8-14(12)15)16(23)21-17(18)19;/h2-8,15H,1H3,(H,20,22)(H4,18,19,21,23);1H
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180n/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
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