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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'taha' and Initial = 'h'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 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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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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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
Serotonin receptor (2b and 2c)


(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))
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
Serotonin receptor (2b and 2c)


(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
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
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
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50304913
PNG
((2R,3R,4R,5R)-2-(6-amino-2-oxopyrimidin-1(2H)-yl)-...)
Show SMILES CNc1ccccc1C(=O)O[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(N)nc1=O
Show InChI InChI=1/C17H23N4O15P3/c1-19-10-5-3-2-4-9(10)16(23)34-14-13(22)11(33-15(14)21-7-6-12(18)20-17(21)24)8-32-38(28,29)36-39(30,31)35-37(25,26)27/h2-7,11,13-15,19,22H,8H2,1H3,(H,28,29)(H,30,31)(H2,18,20,24)(H2,25,26,27)/t11-,13-,14-,15-/s2
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100n/an/an/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor catalytic domain by radiometric assay


Bioorg Med Chem Lett 20: 232-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.125
BindingDB Entry DOI: 10.7270/Q2CF9Q5V
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 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
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
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50206817
PNG
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-...)
Show SMILES CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H23N6O14P3/c1-20-10-5-3-2-4-9(10)18(26)36-14-11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H,32,33)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
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980n/an/an/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor catalytic domain by radiometric assay


Bioorg Med Chem Lett 20: 232-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.125
BindingDB Entry DOI: 10.7270/Q2CF9Q5V
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 2A


(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 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
5-Hydroxytryptamine receptor 7 (5-HT7)


(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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>1.00E+3n/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))
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444039
PNG
(CHEMBL3092759)
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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>1.00E+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 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50444040
PNG
(CHEMBL3092753)
Show SMILES NC(=N)NC(=O)c1ccc-2c(Cc3ccccc-23)c1
Show InChI InChI=1S/C15H13N3O/c16-15(17)18-14(19)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H4,16,17,18,19)
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1.40E+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 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
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50304912
PNG
((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydr...)
Show SMILES CNc1ccccc1C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12
Show InChI InChI=1/C19H24Cl2N7O12P3/c1-23-10-5-3-2-4-9(10)17(30)27-12-14(29)11(39-18(12)28-8-26-13-15(22)24-7-25-16(13)28)6-38-43(36,37)40-42(34,35)19(20,21)41(31,32)33/h2-5,7-8,11-12,14,18,23,29H,6H2,1H3,(H,27,30)(H,34,35)(H,36,37)(H2,22,24,25)(H2,31,32,33)/t11-,12-,14-,18-/s2
PDB
MMDB

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8.98E+3n/an/an/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor catalytic domain by radiometric assay


Bioorg Med Chem Lett 20: 232-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.125
BindingDB Entry DOI: 10.7270/Q2CF9Q5V
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 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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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