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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 = 'BDBM50088410'   
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))		BDBM50088410
PNG
(2-(4-tert-Butyl-phenyl)-1,3-dioxo-2,3-dihydro-1H-i...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C35H42N4O5/c1-23(2)44-31-9-7-6-8-30(31)38-18-16-37(17-19-38)22-27(40)21-36-32(41)24-10-15-28-29(20-24)34(43)39(33(28)42)26-13-11-25(12-14-26)35(3,4)5/h6-15,20,23,27,40H,16-19,21-22H2,1-5H3,(H,36,41)
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Similars
PubMed
 3.05n/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