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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 = 'BDBM50459717'   
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))
BDBM50459717
PNG
(CHEMBL4209572)
Show SMILES [H][C@]12CCc3cccnc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-9-3-4-10-8-12-6-7-14(10)11(9)13-5-1/h1-2,5,10,12H,3-4,6-8H2/t10-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 63n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127872
BindingDB Entry DOI: 10.7270/Q2SF30VK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50459717
PNG
(CHEMBL4209572)
Show SMILES [H][C@]12CCc3cccnc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-9-3-4-10-8-12-6-7-14(10)11(9)13-5-1/h1-2,5,10,12H,3-4,6-8H2/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 61n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at recombinant 5-HT2B receptor (unknown origin) expressed in HEK293 cells assessed as increase in [3H]-inositol phosphate accumulati...


ACS Med Chem Lett 9: 864-865 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00328
BindingDB Entry DOI: 10.7270/Q2XS5Z0D
More data for this
Ligand-Target Pair