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PubMed code 22778800

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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 2A


(Homo sapiens (Human))
BDBM50382445
PNG
(CHEMBL2023357)
Show SMILES NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 |r|
Show InChI InChI=1S/C14H18FNO/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16/h3-4,6,9-10,12H,1-2,5,7-8,16H2/t10-,12+/m1/s1
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n/an/an/an/a 894n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382446
PNG
(CHEMBL2022185)
Show SMILES CCOc1ccccc1[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C12H17NO/c1-2-14-12-6-4-3-5-10(12)11-7-9(11)8-13/h3-6,9,11H,2,7-8,13H2,1H3/t9-,11+/m1/s1
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n/an/an/an/a 18n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382453
PNG
(CHEMBL2022180)
Show SMILES COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C17H18FNO/c1-20-17-6-5-12(11-3-2-4-14(18)7-11)8-16(17)15-9-13(15)10-19/h2-8,13,15H,9-10,19H2,1H3/t13-,15+/m1/s1
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n/an/an/an/a 7.24E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382448
PNG
(CHEMBL2022192)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1 |r|
Show InChI InChI=1S/C17H19NO/c18-11-14-10-16(14)15-8-4-5-9-17(15)19-12-13-6-2-1-3-7-13/h1-9,14,16H,10-12,18H2/t14-,16+/m1/s1
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n/an/an/an/a 304n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
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 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
5-hydroxytryptamine receptor 2A


(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 7.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A 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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50382446
PNG
(CHEMBL2022185)
Show SMILES CCOc1ccccc1[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C12H17NO/c1-2-14-12-6-4-3-5-10(12)11-7-9(11)8-13/h3-6,9,11H,2,7-8,13H2,1H3/t9-,11+/m1/s1
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n/an/an/an/a 331n/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
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 0.0900n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382447
PNG
(CHEMBL2022186)
Show SMILES CCCOc1ccccc1[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C13H19NO/c1-2-7-15-13-6-4-3-5-11(13)12-8-10(12)9-14/h3-6,10,12H,2,7-9,14H2,1H3/t10-,12+/m1/s1
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n/an/an/an/a 24n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382456
PNG
(CHEMBL2022189)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1OCC1CC1 |r|
Show InChI InChI=1S/C14H19NO/c15-8-11-7-13(11)12-3-1-2-4-14(12)16-9-10-5-6-10/h1-4,10-11,13H,5-9,15H2/t11-,13+/m1/s1
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n/an/an/an/a 120n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382458
PNG
(CHEMBL2022193)
Show SMILES NC[C@@H]1C[C@H]1c1ccccc1OCC1CC1 |r|
Show InChI InChI=1S/C14H19NO/c15-8-11-7-13(11)12-3-1-2-4-14(12)16-9-10-5-6-10/h1-4,10-11,13H,5-9,15H2/t11-,13+/m0/s1
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n/an/an/an/a 978n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50382447
PNG
(CHEMBL2022186)
Show SMILES CCCOc1ccccc1[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C13H19NO/c1-2-7-15-13-6-4-3-5-11(13)12-8-10(12)9-14/h3-6,10,12H,2,7-9,14H2,1H3/t10-,12+/m1/s1
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n/an/an/an/a 304n/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50382445
PNG
(CHEMBL2023357)
Show SMILES NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 |r|
Show InChI InChI=1S/C14H18FNO/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16/h3-4,6,9-10,12H,1-2,5,7-8,16H2/t10-,12+/m1/s1
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n/an/an/an/a 289n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382445
PNG
(CHEMBL2023357)
Show SMILES NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1 |r|
Show InChI InChI=1S/C14H18FNO/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16/h3-4,6,9-10,12H,1-2,5,7-8,16H2/t10-,12+/m1/s1
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n/an/an/an/a 21n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50382448
PNG
(CHEMBL2022192)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1 |r|
Show InChI InChI=1S/C17H19NO/c18-11-14-10-16(14)15-8-4-5-9-17(15)19-12-13-6-2-1-3-7-13/h1-9,14,16H,10-12,18H2/t14-,16+/m1/s1
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n/an/an/an/a 1.08E+3n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382451
PNG
(CHEMBL2022177)
Show SMILES COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1cccc(C)c1 |r|
Show InChI InChI=1S/C18H21NO/c1-12-4-3-5-13(8-12)14-6-7-18(20-2)17(9-14)16-10-15(16)11-19/h3-9,15-16H,10-11,19H2,1-2H3/t15-,16+/m1/s1
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n/an/an/an/a 8.71E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382454
PNG
(CHEMBL2022181)
Show SMILES COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H18FNO/c1-20-17-7-4-12(11-2-5-14(18)6-3-11)8-16(17)15-9-13(15)10-19/h2-8,13,15H,9-10,19H2,1H3/t13-,15+/m1/s1
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n/an/an/an/a 2.19E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382456
PNG
(CHEMBL2022189)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1OCC1CC1 |r|
Show InChI InChI=1S/C14H19NO/c15-8-11-7-13(11)12-3-1-2-4-14(12)16-9-10-5-6-10/h1-4,10-11,13H,5-9,15H2/t11-,13+/m1/s1
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n/an/an/an/a 120n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382452
PNG
(CHEMBL2022179)
Show SMILES COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1ccccc1F |r|
Show InChI InChI=1S/C17H18FNO/c1-20-17-7-6-11(13-4-2-3-5-16(13)18)8-15(17)14-9-12(14)10-19/h2-8,12,14H,9-10,19H2,1H3/t12-,14+/m1/s1
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n/an/an/an/a 3.31E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382457
PNG
(CHEMBL2022190)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1OCC1CCC1 |r|
Show InChI InChI=1S/C15H21NO/c16-9-12-8-14(12)13-6-1-2-7-15(13)17-10-11-4-3-5-11/h1-2,6-7,11-12,14H,3-5,8-10,16H2/t12-,14+/m1/s1
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n/an/an/an/a 1.21E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382455
PNG
(CHEMBL2022187)
Show SMILES CC(C)COc1ccccc1[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C14H21NO/c1-10(2)9-16-14-6-4-3-5-12(14)13-7-11(13)8-15/h3-6,10-11,13H,7-9,15H2,1-2H3/t11-,13+/m1/s1
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n/an/an/an/a 254n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50382446
PNG
(CHEMBL2022185)
Show SMILES CCOc1ccccc1[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C12H17NO/c1-2-14-12-6-4-3-5-10(12)11-7-9(11)8-13/h3-6,9,11H,2,7-8,13H2,1H3/t9-,11+/m1/s1
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n/an/an/an/a 3.02E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382450
PNG
(CHEMBL2023356)
Show SMILES COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1ccccc1C |r|
Show InChI InChI=1S/C18H21NO/c1-12-5-3-4-6-15(12)13-7-8-18(20-2)17(9-13)16-10-14(16)11-19/h3-9,14,16H,10-11,19H2,1-2H3/t14-,16+/m1/s1
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n/an/an/an/a 3.47E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50382449
PNG
(CHEMBL2023355)
Show SMILES COc1ccc(cc1[C@H]1C[C@@H]1CN)-c1ccccc1 |r|
Show InChI InChI=1S/C17H19NO/c1-19-17-8-7-13(12-5-3-2-4-6-12)9-16(17)15-10-14(15)11-18/h2-9,14-15H,10-11,18H2,1H3/t14-,15+/m1/s1
PDB

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n/an/an/an/a 3.80E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C 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
* indicates data uncertainty>20%