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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha adrenergic receptor (1a and 1d)' and Ligand = 'BDBM50419673'   
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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50419673
PNG
(CHEMBL1944695)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H29N3O3S/c30-22-11-10-21(25-24(22)29-26(32)33-25)23(31)17-28-15-13-19-6-8-20(9-7-19)16-27-14-12-18-4-2-1-3-5-18/h1-11,23,27-28,30-31H,12-17H2,(H,29,32)/t23-/m0/s1
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Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay


Bioorg Med Chem Lett 22: 689-95 (2011)

More data for this
Ligand-Target Pair