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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50030781   
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 3A


(Homo sapiens (Human))
BDBM50301291
PNG
(4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...)
Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
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3.70E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of 5HT3 receptor


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50301291
PNG
(4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...)
Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
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MMDB

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7.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of beta2 adrenergic receptor


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50301291
PNG
(4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...)
Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
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8.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of muscarinic receptor 3


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301291
PNG
(4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...)
Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
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>2.20E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of dofrtilide from human ERG channel


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(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 Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301290
PNG
(3-(benzyloxy)-1,4,5,6,7,8-hexahydropyrazolo[4,3-d]...)
Show SMILES C(Oc1[nH]nc2CCNCCc12)c1ccccc1
Show InChI InChI=1S/C14H17N3O/c1-2-4-11(5-3-1)10-18-14-12-6-8-15-9-7-13(12)16-17-14/h1-5,15H,6-10H2,(H,16,17)
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n/an/an/an/a 353n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Canis familiaris)
BDBM50301291
PNG
(4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...)
Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
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n/an/an/an/a 1.80E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor in dog bladder strip


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Canis familiaris)
BDBM50301292
PNG
(4-Benzyl-3-methyl-7,8,9,10-tetrahyd ro-6H-1,2,3a,5...)
Show SMILES Cc1nnc2c3CCNCCc3nc(Cc3ccccc3)n12
Show InChI InChI=1S/C17H19N5/c1-12-20-21-17-14-7-9-18-10-8-15(14)19-16(22(12)17)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
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n/an/an/an/a 1.60E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor in dog bladder strip


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
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 Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 25n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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n/an/an/an/a 170n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301293
PNG
(2-methyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES Cn1nc2CCNCCc2cc1=O
Show InChI InChI=1S/C9H13N3O/c1-12-9(13)6-7-2-4-10-5-3-8(7)11-12/h6,10H,2-5H2,1H3
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n/an/an/an/a 338n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301294
PNG
(2-phenyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1-c1ccccc1
Show InChI InChI=1S/C14H15N3O/c18-14-10-11-6-8-15-9-7-13(11)16-17(14)12-4-2-1-3-5-12/h1-5,10,15H,6-9H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301295
PNG
(2-(2-phenoxyethyl)-6,7,8,9-tetrahydro-2H-pyridazin...)
Show SMILES O=c1cc2CCNCCc2nn1CCOc1ccccc1
Show InChI InChI=1S/C16H19N3O2/c20-16-12-13-6-8-17-9-7-15(13)18-19(16)10-11-21-14-4-2-1-3-5-14/h1-5,12,17H,6-11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301296
PNG
(2-isopentyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d...)
Show SMILES CC(C)CCn1nc2CCNCCc2cc1=O
Show InChI InChI=1S/C13H21N3O/c1-10(2)5-8-16-13(17)9-11-3-6-14-7-4-12(11)15-16/h9-10,14H,3-8H2,1-2H3
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n/an/an/an/a 62n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
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 31n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301298
PNG
(2-(2-chlorobenzyl)-6,7,8,9-tetrahydro-2H-pyridazin...)
Show SMILES Clc1ccccc1Cn1nc2CCNCCc2cc1=O
Show InChI InChI=1S/C15H16ClN3O/c16-13-4-2-1-3-12(13)10-19-15(20)9-11-5-7-17-8-6-14(11)18-19/h1-4,9,17H,5-8,10H2
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n/an/an/an/a 33n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301299
PNG
(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-2H-pyridazin...)
Show SMILES Clc1cccc(Cn2nc3CCNCCc3cc2=O)c1
Show InChI InChI=1S/C15H16ClN3O/c16-13-3-1-2-11(8-13)10-19-15(20)9-12-4-6-17-7-5-14(12)18-19/h1-3,8-9,17H,4-7,10H2
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n/an/an/an/a 30n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301300
PNG
(2-(4-chlorobenzyl)-6,7,8,9-tetrahydro-2H-pyridazin...)
Show SMILES Clc1ccc(Cn2nc3CCNCCc3cc2=O)cc1
Show InChI InChI=1S/C15H16ClN3O/c16-13-3-1-11(2-4-13)10-19-15(20)9-12-5-7-17-8-6-14(12)18-19/h1-4,9,17H,5-8,10H2
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n/an/an/an/a 31n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301301
PNG
(4-((3-oxo-3,5,6,7,8,9-hexahydro-2H-pyridazino[4,3-...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C16H16N4O/c17-10-12-1-3-13(4-2-12)11-20-16(21)9-14-5-7-18-8-6-15(14)19-20/h1-4,9,18H,5-8,11H2
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n/an/an/an/a 6.63E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301302
PNG
(2-(4-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-2...)
Show SMILES FC(F)(F)c1ccc(Cn2nc3CCNCCc3cc2=O)cc1
Show InChI InChI=1S/C16H16F3N3O/c17-16(18,19)13-3-1-11(2-4-13)10-22-15(23)9-12-5-7-20-8-6-14(12)21-22/h1-4,9,20H,5-8,10H2
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n/an/an/an/a 125n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301303
PNG
(2-(4-(trifluoromethoxy)benzyl)-6,7,8,9-tetrahydro-...)
Show SMILES FC(F)(F)Oc1ccc(Cn2nc3CCNCCc3cc2=O)cc1
Show InChI InChI=1S/C16H16F3N3O2/c17-16(18,19)24-13-3-1-11(2-4-13)10-22-15(23)9-12-5-7-20-8-6-14(12)21-22/h1-4,9,20H,5-8,10H2
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n/an/an/an/a 48n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301304
PNG
(2-(2-(trifluoromethoxy)benzyl)-6,7,8,9-tetrahydro-...)
Show SMILES FC(F)(F)Oc1ccccc1Cn1nc2CCNCCc2cc1=O
Show InChI InChI=1S/C16H16F3N3O2/c17-16(18,19)24-14-4-2-1-3-12(14)10-22-15(23)9-11-5-7-20-8-6-13(11)21-22/h1-4,9,20H,5-8,10H2
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n/an/an/an/a 107n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301305
PNG
(2-(4-cyclopropylbenzyl)-6,7,8,9-tetrahydro-2H-pyri...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccc(cc1)C1CC1
Show InChI InChI=1S/C18H21N3O/c22-18-11-16-7-9-19-10-8-17(16)20-21(18)12-13-1-3-14(4-2-13)15-5-6-15/h1-4,11,15,19H,5-10,12H2
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n/an/an/an/a 26n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301298
PNG
(2-(2-chlorobenzyl)-6,7,8,9-tetrahydro-2H-pyridazin...)
Show SMILES Clc1ccccc1Cn1nc2CCNCCc2cc1=O
Show InChI InChI=1S/C15H16ClN3O/c16-13-4-2-1-3-12(13)10-19-15(20)9-11-5-7-17-8-6-14(11)18-19/h1-4,9,17H,5-8,10H2
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n/an/an/an/a 94n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301299
PNG
(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-2H-pyridazin...)
Show SMILES Clc1cccc(Cn2nc3CCNCCc3cc2=O)c1
Show InChI InChI=1S/C15H16ClN3O/c16-13-3-1-2-11(8-13)10-19-15(20)9-12-4-6-17-7-5-14(12)18-19/h1-3,8-9,17H,4-7,10H2
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n/an/an/an/a 81n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301300
PNG
(2-(4-chlorobenzyl)-6,7,8,9-tetrahydro-2H-pyridazin...)
Show SMILES Clc1ccc(Cn2nc3CCNCCc3cc2=O)cc1
Show InChI InChI=1S/C15H16ClN3O/c16-13-3-1-11(2-4-13)10-19-15(20)9-12-5-7-17-8-6-14(12)18-19/h1-4,9,17H,5-8,10H2
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n/an/an/an/a 267n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301302
PNG
(2-(4-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-2...)
Show SMILES FC(F)(F)c1ccc(Cn2nc3CCNCCc3cc2=O)cc1
Show InChI InChI=1S/C16H16F3N3O/c17-16(18,19)13-3-1-11(2-4-13)10-22-15(23)9-12-5-7-20-8-6-14(12)21-22/h1-4,9,20H,5-8,10H2
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n/an/an/an/a 473n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301303
PNG
(2-(4-(trifluoromethoxy)benzyl)-6,7,8,9-tetrahydro-...)
Show SMILES FC(F)(F)Oc1ccc(Cn2nc3CCNCCc3cc2=O)cc1
Show InChI InChI=1S/C16H16F3N3O2/c17-16(18,19)24-13-3-1-11(2-4-13)10-22-15(23)9-12-5-7-20-8-6-14(12)21-22/h1-4,9,20H,5-8,10H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301304
PNG
(2-(2-(trifluoromethoxy)benzyl)-6,7,8,9-tetrahydro-...)
Show SMILES FC(F)(F)Oc1ccccc1Cn1nc2CCNCCc2cc1=O
Show InChI InChI=1S/C16H16F3N3O2/c17-16(18,19)24-14-4-2-1-3-12(14)10-22-15(23)9-11-5-7-20-8-6-13(11)21-22/h1-4,9,20H,5-8,10H2
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n/an/an/an/a 142n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301305
PNG
(2-(4-cyclopropylbenzyl)-6,7,8,9-tetrahydro-2H-pyri...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccc(cc1)C1CC1
Show InChI InChI=1S/C18H21N3O/c22-18-11-16-7-9-19-10-8-17(16)20-21(18)12-13-1-3-14(4-2-13)15-5-6-15/h1-4,11,15,19H,5-10,12H2
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n/an/an/an/a 84n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 11n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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n/an/an/an/a 125n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301294
PNG
(2-phenyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1-c1ccccc1
Show InChI InChI=1S/C14H15N3O/c18-14-10-11-6-8-15-9-7-13(11)16-17(14)12-4-2-1-3-5-12/h1-5,10,15H,6-9H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301295
PNG
(2-(2-phenoxyethyl)-6,7,8,9-tetrahydro-2H-pyridazin...)
Show SMILES O=c1cc2CCNCCc2nn1CCOc1ccccc1
Show InChI InChI=1S/C16H19N3O2/c20-16-12-13-6-8-17-9-7-15(13)18-19(16)10-11-21-14-4-2-1-3-5-14/h1-5,12,17H,6-11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
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 358n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
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 Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301287
PNG
(2-benzyl-1-methyl-1,2,5,6,7,8-hexahydropyrazolo[4,...)
Show SMILES Cn1c2CCNCCc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C15H19N3O/c1-17-14-8-10-16-9-7-13(14)15(19)18(17)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3
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n/an/an/an/a 2.93E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
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 Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
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 Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(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>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50301287
PNG
(2-benzyl-1-methyl-1,2,5,6,7,8-hexahydropyrazolo[4,...)
Show SMILES Cn1c2CCNCCc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C15H19N3O/c1-17-14-8-10-16-9-7-13(14)15(19)18(17)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(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 Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301290
PNG
(3-(benzyloxy)-1,4,5,6,7,8-hexahydropyrazolo[4,3-d]...)
Show SMILES C(Oc1[nH]nc2CCNCCc12)c1ccccc1
Show InChI InChI=1S/C14H17N3O/c1-2-4-11(5-3-1)10-18-14-12-6-8-15-9-7-13(12)16-17-14/h1-5,15H,6-10H2,(H,16,17)
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n/an/an/an/a 176n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(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 Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 4999-5003 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.063
BindingDB Entry DOI: 10.7270/Q29C6XHC
More data for this
Ligand-Target Pair