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PubMed code 28635286

Compile Data Set for Download or QSAR

Found 207 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 2C


(Homo sapiens (Human))		BDBM50238520
PNG
(CHEMBL4073363)
Show SMILES CCn1nc(cc1-c1ccc(N)nn1)-c1cccc2ccncc12
Show InChI InChI=1S/C18H16N6/c1-2-24-17(15-6-7-18(19)22-21-15)10-16(23-24)13-5-3-4-12-8-9-20-11-14(12)13/h3-11H,2H2,1H3,(H2,19,22)
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n/an/an/an/a 7n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238471
PNG
(CHEMBL4091448)
Show SMILES COCCN(C)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c1-13-17(19(22)21(2)11-12-23-3)24-18(20-13)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,11-12H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238485
PNG
(CHEMBL4062529)
Show SMILES Cc1sc(nc1C(=O)N1CCOCC1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H18N2O2S/c1-13-17(19(22)21-9-11-23-12-10-21)20-18(24-13)16-8-4-6-14-5-2-3-7-15(14)16/h2-8H,9-12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238486
PNG
(CHEMBL4088662)
Show SMILES Cc1sc(nc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S/c1-9-13(15(20)19-5-7-21-8-6-19)18-14(22-9)10-3-2-4-11(16)12(10)17/h2-4H,5-8H2,1H3
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n/an/an/an/a 1.52E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238488
PNG
(CHEMBL4081550)
Show SMILES CCn1nc(cc1-c1ccnn1C)-c1cccc2ccccc12
Show InChI InChI=1S/C19H18N4/c1-3-23-19(18-11-12-20-22(18)2)13-17(21-23)16-10-6-8-14-7-4-5-9-15(14)16/h4-13H,3H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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 290n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238501
PNG
(CHEMBL4084377)
Show SMILES OC1CCN(CC1)C(=O)c1csc(n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S/c16-11-3-1-2-10(13(11)17)14-18-12(8-22-14)15(21)19-6-4-9(20)5-7-19/h1-3,8-9,20H,4-7H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238469
PNG
(CHEMBL4081247)
Show SMILES CCn1nc(cc1-c1ccc(N)nn1)-c1cccc2cccnc12
Show InChI InChI=1S/C18H16N6/c1-2-24-16(14-8-9-17(19)22-21-14)11-15(23-24)13-7-3-5-12-6-4-10-20-18(12)13/h3-11H,2H2,1H3,(H2,19,22)
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n/an/an/an/a 48n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238515
PNG
(CHEMBL4064770)
Show SMILES CCn1nc(cc1-c1cccnn1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H15N5/c1-2-23-18(16-8-5-9-20-21-16)10-17(22-23)15-12-19-11-13-6-3-4-7-14(13)15/h3-12H,2H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238518
PNG
(CHEMBL4083432)
Show SMILES Clc1cccc(-c2nc(cs2)C(=O)N2CC3CC2CO3)c1Cl
Show InChI InChI=1S/C15H12Cl2N2O2S/c16-11-3-1-2-10(13(11)17)14-18-12(7-22-14)15(20)19-5-9-4-8(19)6-21-9/h1-3,7-9H,4-6H2
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n/an/an/an/a 129n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238489
PNG
(CHEMBL4065606)
Show SMILES Cc1oc(nc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Show InChI InChI=1S/C21H22N2O3/c1-14-19(21(25)23-11-9-15(13-24)10-12-23)22-20(26-14)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,15,24H,9-13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238467
PNG
(CHEMBL4063613)
Show SMILES COCCNC(=O)c1sc(nc1C)-c1cccc2ccccc12
Show InChI InChI=1S/C18H18N2O2S/c1-12-16(17(21)19-10-11-22-2)23-18(20-12)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,10-11H2,1-2H3,(H,19,21)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238485
PNG
(CHEMBL4062529)
Show SMILES Cc1sc(nc1C(=O)N1CCOCC1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H18N2O2S/c1-13-17(19(22)21-9-11-23-12-10-21)20-18(24-13)16-8-4-6-14-5-2-3-7-15(14)16/h2-8H,9-12H2,1H3
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n/an/an/an/a 2.78E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238457
PNG
(CHEMBL4069354)
Show SMILES OCC1CCN(CC1)C(=O)c1nnn(n1)-c1cccc2ccccc12
Show InChI InChI=1S/C18H19N5O2/c24-12-13-8-10-22(11-9-13)18(25)17-19-21-23(20-17)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13,24H,8-12H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238468
PNG
(CHEMBL4090637)
Show SMILES CN(Cc1cccnc1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Show InChI InChI=1S/C22H19N3OS/c1-15-20(22(26)25(2)14-16-7-6-12-23-13-16)27-21(24-15)19-11-5-9-17-8-3-4-10-18(17)19/h3-13H,14H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238475
PNG
(CHEMBL4090579)
Show SMILES Fc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1Cl
Show InChI InChI=1S/C14H12ClFN2O2S/c15-12-9(2-1-3-10(12)16)13-17-11(8-21-13)14(19)18-4-6-20-7-5-18/h1-3,8H,4-7H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238509
PNG
(CHEMBL4066433)
Show SMILES Cn1ccnc1-c1cc(nn1C)-c1cccc2ccccc12
Show InChI InChI=1S/C18H16N4/c1-21-11-10-19-18(21)17-12-16(20-22(17)2)15-9-5-7-13-6-3-4-8-14(13)15/h3-12H,1-2H3
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n/an/an/an/a 58n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
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 15n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238500
PNG
(CHEMBL4082829)
Show SMILES Cc1sc(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Show InChI InChI=1S/C22H23NO2S/c1-15-20(22(25)23-11-9-16(14-24)10-12-23)13-21(26-15)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,13,16,24H,9-12,14H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238504
PNG
(CHEMBL4082709)
Show SMILES Cc1nc(sc1C(N)=O)-c1cccc2ccccc12
Show InChI InChI=1S/C15H12N2OS/c1-9-13(14(16)18)19-15(17-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H2,16,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238459
PNG
(CHEMBL4103426)
Show SMILES Cc1cn(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Show InChI InChI=1S/C22H24N2O2/c1-16-13-24(21-8-4-6-18-5-2-3-7-19(18)21)14-20(16)22(26)23-11-9-17(15-25)10-12-23/h2-8,13-14,17,25H,9-12,15H2,1H3
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n/an/an/an/a 369n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238513
PNG
(CHEMBL4102342)
Show SMILES Clc1cccc(-c2nc(cs2)C(=O)N2CCCOCC2)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S/c16-11-4-1-3-10(13(11)17)14-18-12(9-22-14)15(20)19-5-2-7-21-8-6-19/h1,3-4,9H,2,5-8H2
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n/an/an/an/a 320n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238509
PNG
(CHEMBL4066433)
Show SMILES Cn1ccnc1-c1cc(nn1C)-c1cccc2ccccc12
Show InChI InChI=1S/C18H16N4/c1-21-11-10-19-18(21)17-12-16(20-22(17)2)15-9-5-7-13-6-3-4-8-14(13)15/h3-12H,1-2H3
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n/an/an/an/a 93n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238521
PNG
(CHEMBL4085497)
Show SMILES Cc1[nH]c(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Show InChI InChI=1S/C22H24N2O2/c1-15-20(22(26)24-11-9-16(14-25)10-12-24)13-21(23-15)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,13,16,23,25H,9-12,14H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238469
PNG
(CHEMBL4081247)
Show SMILES CCn1nc(cc1-c1ccc(N)nn1)-c1cccc2cccnc12
Show InChI InChI=1S/C18H16N6/c1-2-24-16(14-8-9-17(19)22-21-14)11-15(23-24)13-7-3-5-12-6-4-10-20-18(12)13/h3-11H,2H2,1H3,(H2,19,22)
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n/an/an/an/a 635n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238462
PNG
(CHEMBL4059943)
Show SMILES Cc1nc(sc1C(=O)N1CCNCC1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H19N3OS/c1-13-17(19(23)22-11-9-20-10-12-22)24-18(21-13)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,20H,9-12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238513
PNG
(CHEMBL4102342)
Show SMILES Clc1cccc(-c2nc(cs2)C(=O)N2CCCOCC2)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S/c16-11-4-1-3-10(13(11)17)14-18-12(9-22-14)15(20)19-5-2-7-21-8-6-19/h1,3-4,9H,2,5-8H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238478
PNG
(CHEMBL4071321)
Show SMILES CN(Cc1ccn(C)n1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Show InChI InChI=1S/C21H20N4OS/c1-14-19(21(26)24(2)13-16-11-12-25(3)23-16)27-20(22-14)18-10-6-8-15-7-4-5-9-17(15)18/h4-12H,13H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238492
PNG
(CHEMBL4092473)
Show SMILES CCn1nc(cc1-c1cccnn1)-c1nccc2ccccc12
Show InChI InChI=1S/C18H15N5/c1-2-23-17(15-8-5-10-20-21-15)12-16(22-23)18-14-7-4-3-6-13(14)9-11-19-18/h3-12H,2H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238504
PNG
(CHEMBL4082709)
Show SMILES Cc1nc(sc1C(N)=O)-c1cccc2ccccc12
Show InChI InChI=1S/C15H12N2OS/c1-9-13(14(16)18)19-15(17-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H2,16,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238523
PNG
(CHEMBL4096385)
Show SMILES CCn1nc(cc1-c1ncnn1C)-c1cccc2ccccc12
Show InChI InChI=1S/C18H17N5/c1-3-23-17(18-19-12-20-22(18)2)11-16(21-23)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,3H2,1-2H3
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n/an/an/an/a 190n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238477
PNG
(CHEMBL4068476)
Show SMILES Cc1nc(sc1C(=O)N1CCCC(O)CC1)-c1cccc2ccccc12
Show InChI InChI=1S/C21H22N2O2S/c1-14-19(21(25)23-12-5-8-16(24)11-13-23)26-20(22-14)18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-10,16,24H,5,8,11-13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238497
PNG
(CHEMBL4059884)
Show SMILES Clc1ccc(-c2nc(cs2)C(=O)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C14H12Cl2N2O2S/c15-9-1-2-10(11(16)7-9)13-17-12(8-21-13)14(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238481
PNG
(CHEMBL4072337)
Show SMILES Cn1cc(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Show InChI InChI=1S/C22H24N2O2/c1-23-14-18(20-8-4-6-17-5-2-3-7-19(17)20)13-21(23)22(26)24-11-9-16(15-25)10-12-24/h2-8,13-14,16,25H,9-12,15H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238523
PNG
(CHEMBL4096385)
Show SMILES CCn1nc(cc1-c1ncnn1C)-c1cccc2ccccc12
Show InChI InChI=1S/C18H17N5/c1-3-23-17(18-19-12-20-22(18)2)11-16(21-23)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,3H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238473
PNG
(CHEMBL4098357)
Show SMILES Cc1nc(sc1C(=O)N1CCc2[nH]cnc2C1)-c1cccc2ccccc12
Show InChI InChI=1S/C21H18N4OS/c1-13-19(21(26)25-10-9-17-18(11-25)23-12-22-17)27-20(24-13)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,12H,9-11H2,1H3,(H,22,23)
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n/an/an/an/a 68n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238493
PNG
(CHEMBL4095663)
Show SMILES Cc1nn(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-15-19(21(26)23-11-9-16(14-25)10-12-23)13-24(22-15)20-8-4-6-17-5-2-3-7-18(17)20/h2-8,13,16,25H,9-12,14H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238520
PNG
(CHEMBL4073363)
Show SMILES CCn1nc(cc1-c1ccc(N)nn1)-c1cccc2ccncc12
Show InChI InChI=1S/C18H16N6/c1-2-24-17(15-6-7-18(19)22-21-15)10-16(23-24)13-5-3-4-12-8-9-20-11-14(12)13/h3-11H,2H2,1H3,(H2,19,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238508
PNG
(CHEMBL4097390)
Show SMILES O=C(N1CCOCC1)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C13H13N3O2S/c17-13(16-4-6-18-7-5-16)11-9-19-12(15-11)10-2-1-3-14-8-10/h1-3,8-9H,4-7H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238498
PNG
(CHEMBL4101668)
Show SMILES CC(C)N(CCO)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Show InChI InChI=1S/C20H22N2O2S/c1-13(2)22(11-12-23)20(24)18-14(3)21-19(25-18)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,13,23H,11-12H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238468
PNG
(CHEMBL4090637)
Show SMILES CN(Cc1cccnc1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Show InChI InChI=1S/C22H19N3OS/c1-15-20(22(26)25(2)14-16-7-6-12-23-13-16)27-21(24-15)19-11-5-9-17-8-3-4-10-18(17)19/h3-13H,14H2,1-2H3
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n/an/an/an/a 12n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238511
PNG
(CHEMBL4104126)
Show SMILES CCn1nc(cc1-c1ccccn1)-c1cccc2ccccc12
Show InChI InChI=1S/C20H17N3/c1-2-23-20(18-12-5-6-13-21-18)14-19(22-23)17-11-7-9-15-8-3-4-10-16(15)17/h3-14H,2H2,1H3
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50238467
PNG
(CHEMBL4063613)
Show SMILES COCCNC(=O)c1sc(nc1C)-c1cccc2ccccc12
Show InChI InChI=1S/C18H18N2O2S/c1-12-16(17(21)19-10-11-22-2)23-18(20-12)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,10-11H2,1-2H3,(H,19,21)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238490
PNG
(CHEMBL4080787)
Show SMILES Cc1nc(sc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S/c1-9-13(15(20)19-5-7-21-8-6-19)22-14(18-9)10-3-2-4-11(16)12(10)17/h2-4H,5-8H2,1H3
PDB
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238456
PNG
(CHEMBL4092132)
Show SMILES Clc1cccc(-c2nc(cs2)C(=O)N2CCCCC2)c1Cl
Show InChI InChI=1S/C15H14Cl2N2OS/c16-11-6-4-5-10(13(11)17)14-18-12(9-21-14)15(20)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238514
PNG
(CHEMBL4095818)
Show SMILES Cc1nc(sc1C(=O)N1CCC(O)CC1)-c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O2S/c1-13-18(20(24)22-11-9-15(23)10-12-22)25-19(21-13)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15,23H,9-12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238512
PNG
(CHEMBL4083671)
Show SMILES CN(CCO)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Show InChI InChI=1S/C18H18N2O2S/c1-12-16(18(22)20(2)10-11-21)23-17(19-12)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,21H,10-11H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50238495
PNG
(CHEMBL4070122)
Show SMILES O=C(N1CCOCC1)c1csc(n1)-c1cccc2ccccc12
Show InChI InChI=1S/C18H16N2O2S/c21-18(20-8-10-22-11-9-20)16-12-23-17(19-16)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238501
PNG
(CHEMBL4084377)
Show SMILES OC1CCN(CC1)C(=O)c1csc(n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S/c16-11-3-1-2-10(13(11)17)14-18-12(8-22-14)15(21)19-6-4-9(20)5-7-19/h1-3,8-9,20H,4-7H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Renin

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50238470
PNG
(CHEMBL4064423)
Show SMILES CN1CCN(CC1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
Show InChI InChI=1S/C20H21N3OS/c1-14-18(20(24)23-12-10-22(2)11-13-23)25-19(21-14)17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,10-13H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...

J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%