Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50109053'   

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/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50109053 (3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2OCCOc12 |c:5| Show InChI InChI=1S/C22H23N3O3/c1-4-19(21-20(5-1)27-13-14-28-21)26-12-11-25-9-6-16(7-10-25)18-15-24-22-17(18)3-2-8-23-22/h1-6,8,15H,7,9-14H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
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