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 = 'BDBM50088843'   

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))	BDBM50088843 (CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...) Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1 Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair