Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50027161'   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027161 (CHEMBL183307) Show SMILES COc1ccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)cc1 Show InChI InChI=1S/C26H31N3O5/c1-33-24-13-11-21(12-14-24)29-26(32)28-20-9-7-19(8-10-20)15-22(17-30)27-16-23(31)18-34-25-5-3-2-4-6-25/h2-14,22-23,27,30-31H,15-18H2,1H3,(H2,28,29,32)/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-1 adrenergic receptor				Bioorg Med Chem Lett 15: 251-4 (2004) Article DOI: 10.1016/j.bmcl.2004.11.001 BindingDB Entry DOI: 10.7270/Q2QJ7J2T
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