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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50088403'   
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-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50088403
PNG
(1,3-Dioxo-2-m-tolyl-2,3-dihydro-1H-isoindole-5-car...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(C)c2)CC1
Show InChI InChI=1S/C32H36N4O5/c1-21(2)41-29-10-5-4-9-28(29)35-15-13-34(14-16-35)20-25(37)19-33-30(38)23-11-12-26-27(18-23)32(40)36(31(26)39)24-8-6-7-22(3)17-24/h4-12,17-18,21,25,37H,13-16,19-20H2,1-3H3,(H,33,38)
UniProtKB/SwissProt

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PubMed
>2.00E+3n/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-1B 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