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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 = 'BDBM50088418'   
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))		BDBM50088418
PNG
(2-(4-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...)
Show SMILES COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[C@H](O)CN1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C32H36N4O6/c1-21(2)42-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-24(37)19-33-30(38)22-8-13-26-27(18-22)32(40)36(31(26)39)23-9-11-25(41-3)12-10-23/h4-13,18,21,24,37H,14-17,19-20H2,1-3H3,(H,33,38)/t24-/m0/s1
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Similars
PubMed
 0.230n/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