Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50173111'   

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))	BDBM50173111 (CHEMBL3810220) Show SMILES COc1cc(C)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O Show InChI InChI=1S/C25H35N3O4/c1-17-5-6-22(23(13-17)31-3)32-12-8-27-18(2)14-19-15-20-7-10-28(9-4-11-29)24(20)21(16-19)25(26)30/h5-6,13,15-16,18,27,29H,4,7-12,14H2,1-3H3,(H2,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	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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