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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor' and Ligand = 'BDBM50270854'   
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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50270854
PNG
(CHEMBL4127933)
Show SMILES Cl.NC(=N)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C10H12N4S/c11-5-7-6-3-1-2-4-8(6)15-9(7)14-10(12)13/h1-4H2,(H4,12,13,14)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
733n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain prefrontal cortex membranes after 30 mins by microbeta liquid scintillati...


Eur J Med Chem 138: 38-50 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.008
BindingDB Entry DOI: 10.7270/Q2BV7K3C
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50270854
PNG
(CHEMBL4127933)
Show SMILES Cl.NC(=N)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C10H12N4S/c11-5-7-6-3-1-2-4-8(6)15-9(7)14-10(12)13/h1-4H2,(H4,12,13,14)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.60E+3n/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Activity at alpha2 adrenergic receptor in human brain prefrontal cortex membranes assessed as effect on UK14304-induced [35S]GTPgammaS binding by mea...


Eur J Med Chem 138: 38-50 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.008
BindingDB Entry DOI: 10.7270/Q2BV7K3C
More data for this
Ligand-Target Pair