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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50071653'   
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 adrenergic receptor


(Homo sapiens (Human))
BDBM50071653
PNG
(3-{1-[4-(6-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
Show InChI InChI=1S/C23H24N4O7S/c28-22-18-8-7-17(27(30)31)15-21(18)35(32,33)25(22)12-4-3-11-24-13-9-16(10-14-24)26-19-5-1-2-6-20(19)34-23(26)29/h1-2,5-8,15-16H,3-4,9-14H2
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PC cid
PC sid
UniChem

Patents

PubMed
0.160n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair