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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 = 'BDBM50144846'   
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


(Homo sapiens (Human))
BDBM50144846
PNG
((S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1
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Article
PubMed
53n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2A receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144846
PNG
((S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 76n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2A receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair