Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50074013'   

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))	BDBM50074013 (CHEMBL99614 | N-[1'-[2-(1-naphthyl)ethyl]-4-oxospi...) Show SMILES CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4cccc5ccccc45)CC3)Oc2c1 Show InChI InChI=1S/C26H28N2O4S/c1-33(30,31)27-21-9-10-23-24(29)18-26(32-25(23)17-21)12-15-28(16-13-26)14-11-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,17,27H,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP
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