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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 = 'BDBM50088404'   
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))		BDBM50088404
PNG
(2-(4-Hydroxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
Show InChI InChI=1S/C31H34N4O6/c1-20(2)41-28-6-4-3-5-27(28)34-15-13-33(14-16-34)19-24(37)18-32-29(38)21-7-12-25-26(17-21)31(40)35(30(25)39)22-8-10-23(36)11-9-22/h3-12,17,20,24,36-37H,13-16,18-19H2,1-2H3,(H,32,38)
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PubMed
 0.880n/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