Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50218601'   

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))	BDBM50218601 (CHEMBL114669) Show SMILES Oc1ccc2cccc(NCC3=NCCN3)c2c1 |t:11| Show InChI InChI=1S/C14H15N3O/c18-11-5-4-10-2-1-3-13(12(10)8-11)17-9-14-15-6-7-16-14/h1-5,8,17-18H,6-7,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts				Bioorg Med Chem Lett 12: 3449-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44RM1
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