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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50009847   
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 2C


(Homo sapiens (Human))
BDBM50301297
PNG
(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301297
PNG
(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532828
PNG
(CHEMBL4460600)
Show SMILES C(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-14-11-13-6-8-16-9-7-15(13)18-17-14/h1-5,11,16H,6-10H2
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80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532828
PNG
(CHEMBL4460600)
Show SMILES C(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-14-11-13-6-8-16-9-7-15(13)18-17-14/h1-5,11,16H,6-10H2
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80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532829
PNG
(CHEMBL4571336)
Show SMILES O=c1[nH]c2CCNCCc2nc1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-14(10-11-4-2-1-3-5-11)17-12-6-8-16-9-7-13(12)18-15/h1-5,16H,6-10H2,(H,18,19)
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110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532829
PNG
(CHEMBL4571336)
Show SMILES O=c1[nH]c2CCNCCc2nc1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-14(10-11-4-2-1-3-5-11)17-12-6-8-16-9-7-13(12)18-15/h1-5,16H,6-10H2,(H,18,19)
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110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532827
PNG
(CHEMBL4571641)
Show SMILES Clc1ccc(Cc2cc3CCNCCc3nn2)cc1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-11(2-4-13)9-14-10-12-5-7-17-8-6-15(12)19-18-14/h1-4,10,17H,5-9H2
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120n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532827
PNG
(CHEMBL4571641)
Show SMILES Clc1ccc(Cc2cc3CCNCCc3nn2)cc1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-11(2-4-13)9-14-10-12-5-7-17-8-6-15(12)19-18-14/h1-4,10,17H,5-9H2
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120n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532825
PNG
(CHEMBL4437696)
Show SMILES CC(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)16-11-14-7-9-17-10-8-15(14)18-19-16/h2-6,11-12,17H,7-10H2,1H3
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532825
PNG
(CHEMBL4437696)
Show SMILES CC(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)16-11-14-7-9-17-10-8-15(14)18-19-16/h2-6,11-12,17H,7-10H2,1H3
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532825
PNG
(CHEMBL4437696)
Show SMILES CC(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)16-11-14-7-9-17-10-8-15(14)18-19-16/h2-6,11-12,17H,7-10H2,1H3
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532825
PNG
(CHEMBL4437696)
Show SMILES CC(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)16-11-14-7-9-17-10-8-15(14)18-19-16/h2-6,11-12,17H,7-10H2,1H3
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532830
PNG
(CHEMBL4438673)
Show SMILES Fc1ccc(Cc2cc3CCNCCc3nn2)cc1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-14-10-12-5-7-17-8-6-15(12)19-18-14/h1-4,10,17H,5-9H2
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450n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532830
PNG
(CHEMBL4438673)
Show SMILES Fc1ccc(Cc2cc3CCNCCc3nn2)cc1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-14-10-12-5-7-17-8-6-15(12)19-18-14/h1-4,10,17H,5-9H2
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450n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532832
PNG
(CHEMBL4514905)
Show SMILES Cc1c(Cc2ccccc2)nnc2CCNCCc12
Show InChI InChI=1S/C16H19N3/c1-12-14-7-9-17-10-8-15(14)18-19-16(12)11-13-5-3-2-4-6-13/h2-6,17H,7-11H2,1H3
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520n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532832
PNG
(CHEMBL4514905)
Show SMILES Cc1c(Cc2ccccc2)nnc2CCNCCc12
Show InChI InChI=1S/C16H19N3/c1-12-14-7-9-17-10-8-15(14)18-19-16(12)11-13-5-3-2-4-6-13/h2-6,17H,7-11H2,1H3
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520n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532826
PNG
(CHEMBL4450290)
Show SMILES COc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3O/c1-20-16-5-3-2-4-13(16)11-14-10-12-6-8-17-9-7-15(12)19-18-14/h2-5,10,17H,6-9,11H2,1H3
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550n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532826
PNG
(CHEMBL4450290)
Show SMILES COc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3O/c1-20-16-5-3-2-4-13(16)11-14-10-12-6-8-17-9-7-15(12)19-18-14/h2-5,10,17H,6-9,11H2,1H3
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550n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301288
PNG
(2-benzyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-d]azepi...)
Show SMILES C(c1ccccc1)n1cc2CCNCCc2n1
Show InChI InChI=1S/C14H17N3/c1-2-4-12(5-3-1)10-17-11-13-6-8-15-9-7-14(13)16-17/h1-5,11,15H,6-10H2
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2.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301288
PNG
(2-benzyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-d]azepi...)
Show SMILES C(c1ccccc1)n1cc2CCNCCc2n1
Show InChI InChI=1S/C14H17N3/c1-2-4-12(5-3-1)10-17-11-13-6-8-15-9-7-14(13)16-17/h1-5,11,15H,6-10H2
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2.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532823
PNG
(CHEMBL4476743)
Show SMILES C(c1nnc2CCNCCn12)c1ccccc1
Show InChI InChI=1S/C13H16N4/c1-2-4-11(5-3-1)10-13-16-15-12-6-7-14-8-9-17(12)13/h1-5,14H,6-10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532823
PNG
(CHEMBL4476743)
Show SMILES C(c1nnc2CCNCCn12)c1ccccc1
Show InChI InChI=1S/C13H16N4/c1-2-4-11(5-3-1)10-13-16-15-12-6-7-14-8-9-17(12)13/h1-5,14H,6-10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
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n/an/an/an/a 750n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301297
PNG
(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2
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n/an/an/an/a 30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
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n/an/an/an/a 750n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301297
PNG
(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2
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n/an/an/an/a 30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532830
PNG
(CHEMBL4438673)
Show SMILES Fc1ccc(Cc2cc3CCNCCc3nn2)cc1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-14-10-12-5-7-17-8-6-15(12)19-18-14/h1-4,10,17H,5-9H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
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n/an/an/an/a 310n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532827
PNG
(CHEMBL4571641)
Show SMILES Clc1ccc(Cc2cc3CCNCCc3nn2)cc1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-11(2-4-13)9-14-10-12-5-7-17-8-6-15(12)19-18-14/h1-4,10,17H,5-9H2
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n/an/an/an/a 310n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301288
PNG
(2-benzyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-d]azepi...)
Show SMILES C(c1ccccc1)n1cc2CCNCCc2n1
Show InChI InChI=1S/C14H17N3/c1-2-4-12(5-3-1)10-17-11-13-6-8-15-9-7-14(13)16-17/h1-5,11,15H,6-10H2
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n/an/an/an/a 4.98E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301285
PNG
(1-benzyl-1,2,5,6,7,8-hexahydropyrazolo[4,3-d]azepi...)
Show SMILES O=c1[nH]n(Cc2ccccc2)c2CCNCCc12
Show InChI InChI=1S/C14H17N3O/c18-14-12-6-8-15-9-7-13(12)17(16-14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H,16,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301289
PNG
(1-benzyl-1,4,5,6,7,8-hexahydropyrazolo[4,3-d]azepi...)
Show SMILES C(c1ccccc1)n1ncc2CCNCCc12
Show InChI InChI=1S/C14H17N3/c1-2-4-12(5-3-1)11-17-14-7-9-15-8-6-13(14)10-16-17/h1-5,10,15H,6-9,11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301297
PNG
(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2
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n/an/an/an/a 360n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
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n/an/an/an/a 800n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
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n/an/an/an/a 450n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532832
PNG
(CHEMBL4514905)
Show SMILES Cc1c(Cc2ccccc2)nnc2CCNCCc12
Show InChI InChI=1S/C16H19N3/c1-12-14-7-9-17-10-8-15(14)18-19-16(12)11-13-5-3-2-4-6-13/h2-6,17H,7-11H2,1H3
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n/an/an/an/a 220n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532825
PNG
(CHEMBL4437696)
Show SMILES CC(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3/c1-12(13-5-3-2-4-6-13)16-11-14-7-9-17-10-8-15(14)18-19-16/h2-6,11-12,17H,7-10H2,1H3
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n/an/an/an/a 110n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532826
PNG
(CHEMBL4450290)
Show SMILES COc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C16H19N3O/c1-20-16-5-3-2-4-13(16)11-14-10-12-6-8-17-9-7-15(12)19-18-14/h2-5,10,17H,6-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
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n/an/an/an/a 310n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301286
PNG
(2-benzyl-1,2,5,6,7,8-hexahydropyrazolo[4,3-d]azepi...)
Show SMILES O=c1c2CCNCCc2[nH]n1Cc1ccccc1
Show InChI InChI=1S/C14H17N3O/c18-14-12-6-8-15-9-7-13(12)16-17(14)10-11-4-2-1-3-5-11/h1-5,15-16H,6-10H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301285
PNG
(1-benzyl-1,2,5,6,7,8-hexahydropyrazolo[4,3-d]azepi...)
Show SMILES O=c1[nH]n(Cc2ccccc2)c2CCNCCc12
Show InChI InChI=1S/C14H17N3O/c18-14-12-6-8-15-9-7-13(12)17(16-14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H,16,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532823
PNG
(CHEMBL4476743)
Show SMILES C(c1nnc2CCNCCn12)c1ccccc1
Show InChI InChI=1S/C13H16N4/c1-2-4-11(5-3-1)10-13-16-15-12-6-7-14-8-9-17(12)13/h1-5,14H,6-10H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532829
PNG
(CHEMBL4571336)
Show SMILES O=c1[nH]c2CCNCCc2nc1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-14(10-11-4-2-1-3-5-11)17-12-6-8-16-9-7-13(12)18-15/h1-5,16H,6-10H2,(H,18,19)
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n/an/an/an/a 70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301297
PNG
(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2
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n/an/an/an/a 360n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
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