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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 = 'BDBM50082788'   
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))
BDBM50082788
PNG
(3-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C34H37N5O6/c1-24-29(31(40)45-2)30(25-14-16-28(17-15-25)39(43)44)38(33(42)36-24)32(41)35-20-9-21-37-22-18-34(19-23-37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-17,30H,9,18-23H2,1-2H3,(H,35,41)(H,36,42)
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PC cid
PC sid
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Patents

PubMed
5n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.


J Med Chem 42: 4764-77 (1999)


BindingDB Entry DOI: 10.7270/Q2W959W2
More data for this
Ligand-Target Pair