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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50007855   
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))
BDBM50068612
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES CC(N)Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3
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Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50068612
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES CC(N)Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3
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Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2A receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50068612
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES CC(N)Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3
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PubMed
0.190n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068612
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES CC(N)Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Antagonistic activity measured for 5-hydroxytryptamine 2A receptor using [3H]-MDL- 100,907 as radioligand in rat cortical homogenates.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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PubMed
0.300n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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Article
PubMed
0.460n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2A receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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Article
PubMed
0.480n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2A receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
PDB

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Article
PubMed
1.82n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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PubMed
14.8n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Antagonistic activity measured for 5-hydroxytryptamine 2A receptor using [3H]-MDL- 100,907 as radioligand in rat cortical homogenates.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
PDB

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Article
PubMed
42.7n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT as the radioligand.


J Med Chem 41: 5148-9 (1999)


Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX
More data for this
Ligand-Target Pair