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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 = 'BDBM50419678'   
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)
BDBM50419678
PNG
(CHEMBL1945036)
Show SMILES CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1
Show InChI InChI=1S/C27H31N3O3S/c1-18(21-5-3-2-4-6-21)15-29-16-20-9-7-19(8-10-20)13-14-28-17-24(32)22-11-12-23(31)25-26(22)34-27(33)30-25/h2-12,18,24,28-29,31-32H,13-17H2,1H3,(H,30,33)/t18?,24-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 32n/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