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 = 'BDBM50473273'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50473273 (CHEMBL302554) Show SMILES COc1ccccc1OCCN1CCN(CC1)c1ccc(=O)n(CCCCCCCN2CCN(CC2)c2ccccc2OC)n1 Show InChI InChI=1S/C35H50N6O4/c1-43-31-13-7-6-12-30(31)39-24-20-37(21-25-39)18-10-4-3-5-11-19-41-35(42)17-16-34(36-41)40-26-22-38(23-27-40)28-29-45-33-15-9-8-14-32(33)44-2/h6-9,12-17H,3-5,10-11,18-29H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Binding affinity towards alpha-1 adrenergic receptor in rat cortex membrane using [3H]-prazosin radioligand				J Med Chem 44: 2118-32 (2001) Article DOI: 10.1021/jm010821u BindingDB Entry DOI: 10.7270/Q2W3802N
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