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 = 'BDBM50225548'   

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))	BDBM50225548 (CHEMBL174178) Show SMILES COc1ccc(cc1OC)-c1[nH]nc2CCNCc12 Show InChI InChI=1S/C14H17N3O2/c1-18-12-4-3-9(7-13(12)19-2)14-10-8-15-6-5-11(10)16-17-14/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+3	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