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 = 'BDBM50290750'   

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))	BDBM50290750 (9-{4-[2-(2-Methoxy-phenoxy)-ethylamino]-butyryl}-3...) Show SMILES COc1ccccc1OCCNCCCC(=O)N1CCCOc2c1cnn(C)c2=O Show InChI InChI=1S/C21H28N4O5/c1-24-21(27)20-16(15-23-24)25(12-6-13-30-20)19(26)9-5-10-22-11-14-29-18-8-4-3-7-17(18)28-2/h3-4,7-8,15,22H,5-6,9-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 7: 2857-2862 (1997) Article DOI: 10.1016/S0960-894X(97)10089-0 BindingDB Entry DOI: 10.7270/Q2NP24D6
					More data for this Ligand-Target Pair