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PubMed code 12113827

Compile data set for download or QSAR
Found 7 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


(Rattus norvegicus (Rat))
BDBM50115831
PNG
(1-Methyl-2-(4-methyl-benzo[1,2-b;5,4-b']difuran-8-...)
Show SMILES CC(N)Cc1c2occc2c(C)c2ccoc12
Show InChI InChI=1S/C14H15NO2/c1-8(15)7-12-13-10(3-5-16-13)9(2)11-4-6-17-14(11)12/h3-6,8H,7,15H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydroxytryptamine 2C receptor in cloned rat cell culture


Bioorg Med Chem Lett 12: 1997-9 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RH5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50115831
PNG
(1-Methyl-2-(4-methyl-benzo[1,2-b;5,4-b']difuran-8-...)
Show SMILES CC(N)Cc1c2occc2c(C)c2ccoc12
Show InChI InChI=1S/C14H15NO2/c1-8(15)7-12-13-10(3-5-16-13)9(2)11-4-6-17-14(11)12/h3-6,8H,7,15H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydroxytryptamine 2A receptor in cloned rat cell culture


Bioorg Med Chem Lett 12: 1997-9 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RH5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50115830
PNG
(1-Methyl-2-(4-methyl-2,3,5,6-tetrahydro-benzo[1,2-...)
Show SMILES CC(N)Cc1c2OCCc2c(C)c2CCOc12
Show InChI InChI=1S/C14H19NO2/c1-8(15)7-12-13-10(3-5-16-13)9(2)11-4-6-17-14(11)12/h8H,3-7,15H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydroxytryptamine 2A receptor in cloned rat cell culture


Bioorg Med Chem Lett 12: 1997-9 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RH5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50115830
PNG
(1-Methyl-2-(4-methyl-2,3,5,6-tetrahydro-benzo[1,2-...)
Show SMILES CC(N)Cc1c2OCCc2c(C)c2CCOc12
Show InChI InChI=1S/C14H19NO2/c1-8(15)7-12-13-10(3-5-16-13)9(2)11-4-6-17-14(11)12/h8H,3-7,15H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydroxytryptamine 2C receptor in cloned rat cell culture


Bioorg Med Chem Lett 12: 1997-9 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RH5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50005265
PNG
((+/-)2-(2,5-Dimethoxy-4-methyl-phenyl)-1-methyl-et...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-(R)-DOI from 5-hydroxytryptamine 2A receptor in cloned rat prefrontal cortex homogenate


Bioorg Med Chem Lett 12: 1997-9 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RH5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50115832
PNG
(1-(2,6-dimethoxy-4-methylphenyl)propan-2-amine | 2...)
Show SMILES COc1cc(C)cc(OC)c1CC(C)N
Show InChI InChI=1S/C12H19NO2/c1-8-5-11(14-3)10(7-9(2)13)12(6-8)15-4/h5-6,9H,7,13H2,1-4H3
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49n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydroxytryptamine 2A receptor in cloned rat cell culture


Bioorg Med Chem Lett 12: 1997-9 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RH5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50115832
PNG
(1-(2,6-dimethoxy-4-methylphenyl)propan-2-amine | 2...)
Show SMILES COc1cc(C)cc(OC)c1CC(C)N
Show InChI InChI=1S/C12H19NO2/c1-8-5-11(14-3)10(7-9(2)13)12(6-8)15-4/h5-6,9H,7,13H2,1-4H3
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50n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydroxytryptamine 2C receptor in cloned rat cell culture


Bioorg Med Chem Lett 12: 1997-9 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RH5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%