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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 = 'BDBM50167579'   
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))
BDBM50167579
PNG
(CHEMBL196064 | {3-[((1R,2S,4aR,13bS)-2-Hydroxy-1,2...)
Show SMILES CC(C)(C)OC(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
Show InChI InChI=1S/C28H40N4O4/c1-28(2,3)36-27(35)30-13-6-12-29-26(34)24-20-15-22-25-19(18-7-4-5-8-21(18)31-25)11-14-32(22)16-17(20)9-10-23(24)33/h4-5,7-8,17,20,22-24,31,33H,6,9-16H2,1-3H3,(H,29,34)(H,30,35)/t17-,20?,22-,23-,24+/m0/s1
PDB

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PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
In vitro binding affinity measured by displacement of [3H]rauwolscine from alpha-2c adrenergic receptor expressed in CHO cells in presence of phentol...


Bioorg Med Chem Lett 15: 2758-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.116
BindingDB Entry DOI: 10.7270/Q2KS6R23
More data for this
Ligand-Target Pair