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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 = 'BDBM50088406'   
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))		BDBM50088406
PNG
(2-(3-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...)
Show SMILES COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
Show InChI InChI=1S/C29H29FN4O5/c1-39-26-8-3-2-7-25(26)33-13-11-32(12-14-33)18-22(35)17-31-27(36)19-9-10-23-24(15-19)29(38)34(28(23)37)21-6-4-5-20(30)16-21/h2-10,15-16,22,35H,11-14,17-18H2,1H3,(H,31,36)
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PubMed
 22n/an/an/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand

J Med Chem 43: 2183-95 (2000)


BindingDB Entry DOI: 10.7270/Q2XW4J20
More data for this
Ligand-Target Pair