Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50513258'   

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 adrenergic receptor (Homo sapiens (Human))	BDBM50513258 (CHEMBL4462600) Show SMILES OC(=O)C(O)=O.C(COC(c1ccccc1)c1ccccc1)NCCOc1ccccc1 Show InChI InChI=1S/C23H25NO2/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21)26-19-17-24-16-18-25-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1A expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024 BindingDB Entry DOI: 10.7270/Q26976XT
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