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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM81965'   
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 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM81965
PNG
(1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine | CA...)
Show SMILES CCc1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand


J Med Chem 30: 1-12 (1987)


BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM81965
PNG
(1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine | CA...)
Show SMILES CCc1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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CHEMBL
DrugBank
PC cid
PC sid
UniChem

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PubMed
100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex using [3H]ketanserin radioligand


J Med Chem 33: 1032-6 (1990)


BindingDB Entry DOI: 10.7270/Q2319Z37
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM81965
PNG
(1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine | CA...)
Show SMILES CCc1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Similars

PubMed
100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]ketanserin as...


J Med Chem 35: 734-40 (1992)


BindingDB Entry DOI: 10.7270/Q29K4BV4
More data for this
Ligand-Target Pair