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 = 'BDBM50290509'   

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))	BDBM50290509 (1-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...) Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3-[#7](-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)-[#6](=O)-[#8]-[#6]-c3c2)-[#6]-[#6]-1 Show InChI InChI=1S/C43H48F2N4O3/c1-51-41-8-3-2-7-40(41)48-27-24-46(25-28-48)21-5-4-6-32-9-18-39-36(30-32)31-52-43(50)49(39)29-26-47-22-19-35(20-23-47)42(33-10-14-37(44)15-11-33)34-12-16-38(45)17-13-34/h2-3,7-18,30H,4-6,19-29,31H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Alpha-1 adrenergic receptor in rat cortex using [3H]prazosin				Bioorg Med Chem Lett 7: 2579-2584 (1997) Article DOI: 10.1016/S0960-894X(97)10023-3 BindingDB Entry DOI: 10.7270/Q2QN66SR
					More data for this Ligand-Target Pair