Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50372687'   

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))	BDBM50372687 (CHEMBL269816) Show SMILES CCOCCOc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 Show InChI InChI=1S/C27H31NO5/c1-2-32-16-17-33-26-18-23(12-13-24(26)27(30)31)21-10-8-20(9-11-21)14-15-28-19-25(29)22-6-4-3-5-7-22/h3-13,18,25,28-29H,2,14-17,19H2,1H3,(H,30,31)/t25-/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	>1.00E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA				J Med Chem 51: 1925-44 (2008) Article DOI: 10.1021/jm701324c BindingDB Entry DOI: 10.7270/Q24X58PB
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