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 = 'BDBM50226228'   

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))	BDBM50226228 (CHEMBL50137) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccncn1 Show InChI InChI=1S/C18H21N7O2/c1-26-14-9-12-13(10-15(14)27-2)22-18(23-17(12)19)25-7-5-24(6-8-25)16-3-4-20-11-21-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.				J Med Chem 30: 1794-8 (1987) BindingDB Entry DOI: 10.7270/Q2W0985N
					More data for this Ligand-Target Pair