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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50001112'   
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/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001112
PNG
(8-(2-Hydroxymethyl-7,8-dihydro-3H-6,9-dioxa-3-aza-...)
Show SMILES OCc1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O4/c30-14-17-12-20-21(27-17)6-7-22-23(20)33-19(15-32-22)13-28-10-8-25(9-11-28)24(31)26-16-29(25)18-4-2-1-3-5-18/h1-7,12,19,27,30H,8-11,13-16H2,(H,26,31)
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PubMed
 8.80n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair