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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50473607'   
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50473607
PNG
(CHEMBL50119)
Show SMILES O[C@H]1[C@@H](Cc2ccccc12)N1CCC(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H25NO3/c24-21-17-5-2-1-4-16(17)14-19(21)23-10-8-15(9-11-23)18-6-3-7-20-22(18)26-13-12-25-20/h1-7,15,19,21,24H,8-14H2/t19-,21-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
79n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor by inhibition of [3H]-prazosin binding to rat cortex


J Med Chem 45: 165-76 (2002)


Article DOI: 10.1021/jm010975+
BindingDB Entry DOI: 10.7270/Q25D8VK9
More data for this
Ligand-Target Pair