Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50222923'   

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))	BDBM50222923 (CHEMBL17221) Show SMILES CCn1nccc1-c1ccccc1NCC1=NCCN1 |t:17| Show InChI InChI=1S/C15H19N5/c1-2-20-14(7-8-19-20)12-5-3-4-6-13(12)18-11-15-16-9-10-17-15/h3-8,18H,2,9-11H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells				Bioorg Med Chem Lett 13: 1183-6 (2003) BindingDB Entry DOI: 10.7270/Q21V5G8T
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