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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 = 'BDBM398518'   
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))
BDBM398518
PNG
(US10323020, Example 12 | [4-(3,4-Dihydroisoquinoli...)
Show SMILES O=C(N1CCC(CC1)N1CCc2ccccc2C1)c1cnc(nc1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C23H29N5O3S/c29-22(20-15-24-23(25-16-20)27-11-13-32(30,31)14-12-27)26-9-6-21(7-10-26)28-8-5-18-3-1-2-4-19(18)17-28/h1-4,15-16,21H,5-14,17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...


Bioorg Med Chem Lett 19: 3344-7 (2009)


BindingDB Entry DOI: 10.7270/Q2PN9803
More data for this
Ligand-Target Pair