Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50417389'   

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))	BDBM50417389 (CHEMBL1290707) Show SMILES O=C1OC2(CN1c1ccccc1)CCN(CC2)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H20N4O2/c25-19-24(15-6-2-1-3-7-15)14-20(26-19)10-12-23(13-11-20)18-21-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay				Bioorg Med Chem Lett 20: 7120-3 (2010) Article DOI: 10.1016/j.bmcl.2010.09.064 BindingDB Entry DOI: 10.7270/Q2R49S2N
					More data for this Ligand-Target Pair