Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50074009'   

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))	BDBM50074009 (CHEMBL431631 | N-[1'-(2-methoxyphenethyl)-4-oxospi...) Show SMILES COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 Show InChI InChI=1S/C23H28N2O5S/c1-29-21-6-4-3-5-17(21)9-12-25-13-10-23(11-14-25)16-20(26)19-8-7-18(15-22(19)30-23)24-31(2,27)28/h3-8,15,24H,9-14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.5	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
					More data for this Ligand-Target Pair