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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50210085'   
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


(Rattus norvegicus (rat))
BDBM50210085
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C17H21N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h9H,3-8,18H2,1-2H3/t9-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50210085
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C17H21N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h9H,3-8,18H2,1-2H3/t9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 49.2n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair