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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2B' and Ligand = 'BDBM50492242'   
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 2B


(Homo sapiens (Human))
BDBM50492242
PNG
(CHEMBL2397878)
Show SMILES [H][C@@]12CNCCN1C(=O)c1cc(OC)ccc1C2 |r|
Show InChI InChI=1S/C13H16N2O2/c1-17-11-3-2-9-6-10-8-14-4-5-15(10)13(16)12(9)7-11/h2-3,7,10,14H,4-6,8H2,1H3/t10-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
115n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5-HT2B receptor expressed in HEK293E cells after 45 mins by Top counting analysis


Bioorg Med Chem Lett 23: 3914-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.061
BindingDB Entry DOI: 10.7270/Q2T156KD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50492242
PNG
(CHEMBL2397878)
Show SMILES [H][C@@]12CNCCN1C(=O)c1cc(OC)ccc1C2 |r|
Show InChI InChI=1S/C13H16N2O2/c1-17-11-3-2-9-6-10-8-14-4-5-15(10)13(16)12(9)7-11/h2-3,7,10,14H,4-6,8H2,1H3/t10-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 56n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5-HT2B receptor expressed in HEK293E cells assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 23: 3914-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.061
BindingDB Entry DOI: 10.7270/Q2T156KD
More data for this
Ligand-Target Pair