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SMILES: Cl.NC(=N)Nc1nc2CCCc2s1

InChI Key: InChIKey=UAIBRYGHVVYQBK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50270781   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50270781
PNG
(CHEMBL4129213)
Show SMILES Cl.NC(=N)Nc1nc2CCCc2s1
Show InChI InChI=1S/C7H10N4S/c8-6(9)11-7-10-4-2-1-3-5(4)12-7/h1-3H2,(H4,8,9,10,11)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
706n/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))
BDBM50270781
PNG
(CHEMBL4129213)
Show SMILES Cl.NC(=N)Nc1nc2CCCc2s1
Show InChI InChI=1S/C7H10N4S/c8-6(9)11-7-10-4-2-1-3-5(4)12-7/h1-3H2,(H4,8,9,10,11)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.50E+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