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 = 'BDBM50069015'   

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))	BDBM50069015 (1-(4-Fluoro-phenyl)-4-methyl-2,2a,3,4,5,6-hexahydr...) Show SMILES CN1CCc2cc(O)c(O)c3N(CC(C1)c23)c1ccc(F)cc1 Show InChI InChI=1S/C18H19FN2O2/c1-20-7-6-11-8-15(22)18(23)17-16(11)12(9-20)10-21(17)14-4-2-13(19)3-5-14/h2-5,8,12,22-23H,6-7,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Affinity for alpha-1 adrenergic receptor				Bioorg Med Chem Lett 8: 983-8 (1999) BindingDB Entry DOI: 10.7270/Q2Q81C7Z
					More data for this Ligand-Target Pair