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Compile Data Set for Download or QSAR

Found 445 hits of ec50 data for polymerid = 3429   
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))
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 0.5n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 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 0.860n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux measured every sec for 3 mins by FLIPR assay


ACS Med Chem Lett 2: 929-932 (2011)


Article DOI: 10.1021/ml200206z
BindingDB Entry DOI: 10.7270/Q2959JKS
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 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 0.920n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50403163
PNG
(OXITRIPTAN)
Show SMILES N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01153
BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176272
PNG
((S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50403163
PNG
(OXITRIPTAN)
Show SMILES N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01153
BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 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 1.5n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 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 1.5n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50206731
PNG
(CHEMBL3928388)
Show SMILES Fc1ccc2CCC3CNCCN3c2c1Cl
Show InChI InChI=1S/C12H14ClFN2/c13-11-10(14)4-2-8-1-3-9-7-15-5-6-16(9)12(8)11/h2,4,9,15H,1,3,5-7H2
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n/an/an/an/a 2n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176265
PNG
((S)-1-(5-chloro-1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12
Show InChI InChI=1S/C14H14ClN3/c1-9(16)8-18-6-4-10-7-12(15)13-11(14(10)18)3-2-5-17-13/h2-7,9H,8,16H2,1H3/t9-/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned 5HT2B receptor expressed in HEK293-EBNA cells assessed as myo-[3H]inositol hydrolysis


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144842
PNG
((S)-1-Methyl-2-(2,3,7,8-tetrahydro-furo[2,3-g]indo...)
Show SMILES C[C@H](N)CN1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C13H18N2O/c1-9(14)8-15-6-4-10-2-3-12-11(13(10)15)5-7-16-12/h2-3,9H,4-8,14H2,1H3/t9-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned 5HT2B receptor expressed in HEK293-EBNA cells assessed as myo-[3H]inositol hydrolysis


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50257391
PNG
(CHEMBL492926 | trans-[2-(3-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C10H12FN/c11-9-3-1-2-7(4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144846
PNG
((S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 4.10n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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n/an/an/an/a 4.30n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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n/an/an/an/a 4.30n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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n/an/an/an/a 4.80n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50256782
PNG
(CHEMBL474633 | trans-[2-(4-Fluoro-3-methylphenyl)c...)
Show SMILES Cc1cc(ccc1F)[C@H]1C[C@@H]1CN
Show InChI InChI=1S/C11H14FN/c1-7-4-8(2-3-11(7)12)10-5-9(10)6-13/h2-4,9-10H,5-6,13H2,1H3/t9-,10-/m1/s1
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n/an/an/an/a 4.90n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50257397
PNG
(CHEMBL510383 | trans-[2-(3-Hydroxyphenyl)cycloprop...)
Show SMILES NC[C@H]1C[C@@H]1c1cccc(O)c1
Show InChI InChI=1S/C10H13NO/c11-6-8-5-10(8)7-2-1-3-9(12)4-7/h1-4,8,10,12H,5-6,11H2/t8-,10-/m1/s1
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n/an/an/an/a 5.5n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 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 5.80n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned 5HT2B receptor expressed in HEK293-EBNA cells assessed as myo-[3H]inositol hydrolysis


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144837
PNG
((S)-2-(6-Chloro-2,3-dihydro-indol-1-yl)-1-methyl-e...)
Show SMILES C[C@H](N)CN1CCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H15ClN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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n/an/an/an/a 6.5n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50256783
PNG
(CHEMBL474634 | trans-[2-(2-Chloro-6-methylphenyl)c...)
Show SMILES Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN
Show InChI InChI=1S/C11H14ClN/c1-7-3-2-4-10(12)11(7)9-5-8(9)6-13/h2-4,8-9H,5-6,13H2,1H3/t8-,9+/m1/s1
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n/an/an/an/a 7n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144845
PNG
((S)-2-(6-Chloro-5-fluoro-2,3-dihydro-indol-1-yl)-1...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H14ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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n/an/an/an/a 7.30n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50206730
PNG
(CHEMBL3934644)
Show SMILES COc1ccc2CC[C@@H]3CNCCCN3c2c1Cl
Show InChI InChI=1S/C14H19ClN2O/c1-18-12-6-4-10-3-5-11-9-16-7-2-8-17(11)14(10)13(12)15/h4,6,11,16H,2-3,5,7-9H2,1H3/t11-/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2B receptor (unknown origin) expressed in HEK293 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by scintil...


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50205875
PNG
((R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC
Show InChI InChI=1S/C14H18N2O2/c1-3-9-4-5-10-11-8-15-6-7-16(11)14(17)12(10)13(9)18-2/h4-5,11,15H,3,6-8H2,1-2H3/t11-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human 5HT2B expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50256785
PNG
(CHEMBL475642 | trans-[2-(2,3-Dimethylphenyl)cyclop...)
Show SMILES Cc1cccc([C@H]2C[C@@H]2CN)c1C
Show InChI InChI=1S/C12H17N/c1-8-4-3-5-11(9(8)2)12-6-10(12)7-13/h3-5,10,12H,6-7,13H2,1-2H3/t10-,12+/m1/s1
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n/an/an/an/a 8.40n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50428538
PNG
(CHEMBL2337490)
Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12
Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1
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n/an/an/an/a 9.90n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2B receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay


Bioorg Med Chem Lett 23: 330-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.091
BindingDB Entry DOI: 10.7270/Q2V12656
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144835
PNG
((S)-1-Methyl-2-(6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1ccc2CCN(C[C@H](C)N)c2c1
Show InChI InChI=1S/C12H18N2S/c1-9(13)8-14-6-5-10-3-4-11(15-2)7-12(10)14/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144840
PNG
((S)-2-(6-Bromo-2,3-dihydro-indol-1-yl)-1-methyl-et...)
Show SMILES C[C@H](N)CN1CCc2ccc(Br)cc12
Show InChI InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 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 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
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50256786
PNG
(CHEMBL475643 | trans-[2-(3,4-Dimethylphenyl)cyclop...)
Show SMILES Cc1ccc(cc1C)[C@H]1C[C@@H]1CN
Show InChI InChI=1S/C12H17N/c1-8-3-4-10(5-9(8)2)12-6-11(12)7-13/h3-5,11-12H,6-7,13H2,1-2H3/t11-,12-/m1/s1
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n/an/an/an/a 12n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50334406
PNG
(10-[3-(3-Fluoro-phenoxy)-azetidin-1-yl]-6,7,8,9-te...)
Show SMILES Fc1cccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)c1
Show InChI InChI=1S/C19H20FN5O/c20-13-2-1-3-14(10-13)26-15-11-24(12-15)19-16-4-7-21-8-5-17(16)23-18-6-9-22-25(18)19/h1-3,6,9-10,15,21H,4-5,7-8,11-12H2
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n/an/an/an/a 13n/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay


Bioorg Med Chem Lett 21: 34-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.089
BindingDB Entry DOI: 10.7270/Q2CR5TMH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50426501
PNG
(CHEMBL2323578)
Show SMILES CCNC(=O)N(CCCN1CCOCC1)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1
Show InChI InChI=1S/C28H39N5O3/c1-3-9-32-19-21(16-23-22-7-5-8-24-26(22)20(18-30-24)17-25(23)32)27(34)33(28(35)29-4-2)11-6-10-31-12-14-36-15-13-31/h3,5,7-8,18,21,23,25,30H,1,4,6,9-17,19H2,2H3,(H,29,35)/t21-,23-,25-/m1/s1
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n/an/an/an/a 13n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5-HT2B receptor transfected in CHO cell assessed as IP1 production incubated for 30 mins measured by HTRF detection method


Citation and Details

Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50426497
PNG
(CABERGOLINE | Dostinex | FCE-21336)
Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1
Show InChI InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
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n/an/an/an/a 13n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5-HT2B receptor transfected in CHO cell assessed as IP1 production incubated for 30 mins measured by HTRF detection method


Citation and Details

Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50256780
PNG
(CHEMBL464475 | trans-[2-(2,3-Dichlorophenyl)cyclop...)
Show SMILES NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
Show InChI InChI=1S/C10H11Cl2N/c11-9-3-1-2-7(10(9)12)8-4-6(8)5-13/h1-3,6,8H,4-5,13H2/t6-,8+/m1/s1
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n/an/an/an/a 14n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50257627
PNG
(7-(4-fluorophenylsulfonyl)-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)c1ccc2CCNCCc2c1
Show InChI InChI=1S/C16H16FNO2S/c17-14-2-5-15(6-3-14)21(19,20)16-4-1-12-7-9-18-10-8-13(12)11-16/h1-6,11,18H,7-10H2
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n/an/an/an/a 15n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor by cell-based system


Bioorg Med Chem Lett 19: 1871-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.071
BindingDB Entry DOI: 10.7270/Q2GB23XH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50070181
PNG
(1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...)
Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C24H35N5O2/c1-5-25-24(31)29(11-7-10-27(2)3)23(30)17-12-19-18-8-6-9-20-22(18)16(14-26-20)13-21(19)28(4)15-17/h6,8-9,14,17,19,21,26H,5,7,10-13,15H2,1-4H3,(H,25,31)/t17-,19-,21-/m1/s1
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n/an/an/an/a 16n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5-HT2B receptor transfected in CHO cell assessed as IP1 production incubated for 30 mins measured by HTRF detection method


Citation and Details

Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50257613
PNG
(CHEMBL493951 | N-(cyclopropylmethyl)-N-methyl-2,3,...)
Show SMILES CN(CC1CC1)S(=O)(=O)c1ccc2CCNCCc2c1
Show InChI InChI=1S/C15H22N2O2S/c1-17(11-12-2-3-12)20(18,19)15-5-4-13-6-8-16-9-7-14(13)10-15/h4-5,10,12,16H,2-3,6-9,11H2,1H3
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n/an/an/an/a 17n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor by cell-based system


Bioorg Med Chem Lett 19: 1871-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.071
BindingDB Entry DOI: 10.7270/Q2GB23XH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50257624
PNG
(7-(phenylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]a...)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2CCNCCc2c1
Show InChI InChI=1S/C16H17NO2S/c18-20(19,15-4-2-1-3-5-15)16-7-6-13-8-10-17-11-9-14(13)12-16/h1-7,12,17H,8-11H2
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n/an/an/an/a 18n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor by cell-based system


Bioorg Med Chem Lett 19: 1871-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.071
BindingDB Entry DOI: 10.7270/Q2GB23XH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50086248
PNG
(CHEMBL3425756)
Show SMILES CCNc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C18H23N3/c1-2-20-18-17-9-11-19-10-8-15(17)13-16(21-18)12-14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3,(H,20,21)
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n/an/an/an/a 18n/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5-HT2B receptor expressed in CHOK1 cells assessed as induction of Ca2+ mobilization after 1 hr by FLIPR assay


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50257625
PNG
(7-(2-fluorophenylsulfonyl)-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Fc1ccccc1S(=O)(=O)c1ccc2CCNCCc2c1
Show InChI InChI=1S/C16H16FNO2S/c17-15-3-1-2-4-16(15)21(19,20)14-6-5-12-7-9-18-10-8-13(12)11-14/h1-6,11,18H,7-10H2
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n/an/an/an/a 18n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor by cell-based system


Bioorg Med Chem Lett 19: 1871-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.071
BindingDB Entry DOI: 10.7270/Q2GB23XH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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n/an/an/an/a 21n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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n/an/an/an/a 22n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50205899
PNG
((1S,10bR)-1-methyl-1,3,4,10b-tetrahydro-7-trifluor...)
Show SMILES C[C@@H]1NCCN2[C@@H]1c1cccc(c1C2=O)C(F)(F)F
Show InChI InChI=1S/C13H13F3N2O/c1-7-11-8-3-2-4-9(13(14,15)16)10(8)12(19)18(11)6-5-17-7/h2-4,7,11,17H,5-6H2,1H3/t7-,11-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human 5HT2B expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50086246
PNG
(CHEMBL3425758)
Show SMILES C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)C1CC1
Show InChI InChI=1S/C20H25N3/c1-2-4-15(5-3-1)12-18-13-17-8-10-21-11-9-19(17)20(23-18)22-14-16-6-7-16/h1-5,13,16,21H,6-12,14H2,(H,22,23)
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n/an/an/an/a 22n/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5-HT2B receptor expressed in CHOK1 cells assessed as induction of Ca2+ mobilization after 1 hr by FLIPR assay


ACS Med Chem Lett 6: 329-33 (2015)


Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144838
PNG
((S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-m...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(I)cc12
Show InChI InChI=1S/C11H14FIN2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50179073
PNG
((4R,9aR)-6-Cyclopropylmethoxymethyl-4-methyl-1,2,3...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
Show InChI InChI=1S/C16H23N3O/c1-11-7-17-8-15-6-13-4-5-14(18-16(13)19(11)15)10-20-9-12-2-3-12/h4-5,11-12,15,17H,2-3,6-10H2,1H3/t11-,15-/m1/s1
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n/an/an/an/a 23n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Efficacy against human recombinant 5HT2B receptor induced intracellular calcium mobilization in CHO cells by FLIPR


Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
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