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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 = 'BDBM50205882'   
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))
BDBM50205882
PNG
((R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethyl...)
Show SMILES CCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
Show InChI InChI=1S/C14H15F3N2O/c1-2-8-5-9-11-7-18-3-4-19(11)13(20)12(9)10(6-8)14(15,16)17/h5-6,11,18H,2-4,7H2,1H3/t11-/m0/s1
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Similars

Article
PubMed
153n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT2B expressed in HEK293E cells


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50205882
PNG
((R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethyl...)
Show SMILES CCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
Show InChI InChI=1S/C14H15F3N2O/c1-2-8-5-9-11-7-18-3-4-19(11)13(20)12(9)10(6-8)14(15,16)17/h5-6,11,18H,2-4,7H2,1H3/t11-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.93E+3n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human 5HT2B expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair