Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50108096'   

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))	BDBM50108096 (CHEMBL3601201) Show SMILES COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C19H24N4O5S/c1-27-19-16-7-6-15(11-17(16)21-22-19)28-9-8-20-12-18(24)13-4-3-5-14(10-13)23-29(2,25)26/h3-7,10-11,18,20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	252	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay				J Med Chem 58: 6048-57 (2015) Article DOI: 10.1021/acs.jmedchem.5b00638 BindingDB Entry DOI: 10.7270/Q2NG4SDR
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