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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50324551'   
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 2C


(Homo sapiens (Human))
BDBM50324551
PNG
((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(2,4-difl...)
Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C17H19BrF2N4O/c1-22-11-14(18)16(21-22)17(25)24-8-6-23(7-9-24)5-4-12-2-3-13(19)10-15(12)20/h2-3,10-11H,4-9H2,1H3
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Article
PubMed
2.82E+3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2C receptor


Bioorg Med Chem Lett 22: 1870-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50324551
PNG
((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(2,4-difl...)
Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C17H19BrF2N4O/c1-22-11-14(18)16(21-22)17(25)24-8-6-23(7-9-24)5-4-12-2-3-13(19)10-15(12)20/h2-3,10-11H,4-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.82E+3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting


J Med Chem 53: 5696-706 (2010)


Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX
More data for this
Ligand-Target Pair