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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 = 'BDBM50222012'   
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))
BDBM50222012
PNG
(CHEMBL49152)
Show SMILES COc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC)c(=O)c1Cl
Show InChI InChI=1S/C35H49ClN6O4/c1-44-31-13-7-6-12-29(31)40-22-18-38(19-23-40)16-10-4-3-5-11-17-42-35(43)34(36)30(28-37-42)41-24-20-39(21-25-41)26-27-46-33-15-9-8-14-32(33)45-2/h6-9,12-15,28H,3-5,10-11,16-27H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.60n/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