Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50027164'   

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))	BDBM50027164 (CHEMBL369346) Show SMILES OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1)NC[C@H](O)COc1ccccc1 Show InChI InChI=1S/C25H28N4O6/c30-16-21(26-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-19(12-10-18)27-25(32)28-20-5-4-6-22(14-20)29(33)34/h1-12,14,21,23,26,30-31H,13,15-17H2,(H2,27,28,32)/t21-,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	0.900	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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