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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 = 'BDBM50156187'   
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))
BDBM50156187
PNG
((1S,2S)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@H](O)[C@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [125I](+/-)DOI from rat 5HT2A after 1 hr by beta scintillation counting method


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50156187
PNG
((1S,2S)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@H](O)[C@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair