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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50195271'   
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-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50195271
PNG
(CHEMBL3937032)
Show SMILES [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccccc31 |r|
Show InChI InChI=1S/C20H18N2O2/c1-2-4-16-13(3-1)15-8-18-14-9-20-19(23-11-24-20)7-12(14)5-6-22(18)10-17(15)21-16/h1-4,7,9,18,21H,5-6,8,10-11H2/t18-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human full-length N-terminal SNAP-tagged alpha1D adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-indu...


J Med Chem 59: 9489-9502 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01217
BindingDB Entry DOI: 10.7270/Q2TB18VD
More data for this
Ligand-Target Pair