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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50088409'   
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-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50088409
PNG
(2-(4-Hydroxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
Show InChI InChI=1S/C31H34N4O5/c1-21(2)40-28-7-4-3-6-27(28)34-18-16-33(17-19-34)15-5-14-32-29(37)22-8-13-25-26(20-22)31(39)35(30(25)38)23-9-11-24(36)12-10-23/h3-4,6-13,20-21,36H,5,14-19H2,1-2H3,(H,32,37)
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PubMed
 10n/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-1D 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