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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adrenergic receptor alpha-2' and Ligand = 'BDBM50222044'   
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222044
PNG
(CHEMBL300092)
Show SMILES CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C36H51ClN6O4/c1-3-46-32-14-8-7-13-30(32)41-23-19-39(20-24-41)17-11-5-4-6-12-18-43-36(44)35(37)31(29-38-43)42-25-21-40(22-26-42)27-28-47-34-16-10-9-15-33(34)45-2/h7-10,13-16,29H,3-6,11-12,17-28H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.20n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in rat cerebral cortex using [3H]rauwolscine


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair