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 = 'BDBM50225570'   

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))	BDBM50225570 (CHEMBL171362) Show SMILES CS(O)(=O)=O.CCCCCCn1nc(c2CN(C)CCc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H26FN3/c1-3-4-5-6-12-23-18-11-13-22(2)14-17(18)19(21-23)15-7-9-16(20)10-8-15/h7-10H,3-6,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro.				J Med Chem 28: 934-40 (1985) BindingDB Entry DOI: 10.7270/Q29C70NC
					More data for this Ligand-Target Pair