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 = 'BDBM50290513'   

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))	BDBM50290513 (1-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3N(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)C(=O)OCc3c2)CC1 Show InChI InChI=1S/C37H45FN4O4/c1-45-35-8-3-2-7-34(35)41-23-20-39(21-24-41)17-5-4-6-28-9-14-33-31(26-28)27-46-37(44)42(33)25-22-40-18-15-30(16-19-40)36(43)29-10-12-32(38)13-11-29/h2-3,7-14,26,30H,4-6,15-25,27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	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