Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50173117'   

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))	BDBM50173117 (CHEMBL3809319) Show SMILES COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1 Show InChI InChI=1S/C24H31N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-8,11,15-17,26,28H,5,9-10,12-14H2,1-2H3,(H2,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...				J Med Chem 59: 3826-39 (2016) Article DOI: 10.1021/acs.jmedchem.5b02023 BindingDB Entry DOI: 10.7270/Q22N5461
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