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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 = 'BDBM50088417'   
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))		BDBM50088417
PNG
(2-(3-Chloro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C31H33ClN4O5/c1-20(2)41-28-9-4-3-8-27(28)35-14-12-34(13-15-35)19-24(37)18-33-29(38)21-10-11-25-26(16-21)31(40)36(30(25)39)23-7-5-6-22(32)17-23/h3-11,16-17,20,24,37H,12-15,18-19H2,1-2H3,(H,33,38)
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Similars
PubMed
 0.760n/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