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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2C adrenergic receptor' and Ligand = 'BDBM50401362'   
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-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50401362
PNG
(CHEMBL2205836)
Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
533n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair