Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50264586'   

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))	BDBM50264586 ((R)-3-acetamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydr...) Show SMILES CC(=O)Nc1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc(c1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN2O5/c1-16(29)28-21-12-19(25(31)32)13-23(14-21)33-22-7-2-4-17(10-22)8-9-27-15-24(30)18-5-3-6-20(26)11-18/h2-7,10-14,24,27,30H,8-9,15H2,1H3,(H,28,29)(H,31,32)/t24-/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	240	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem Lett 18: 5037-40 (2008) Article DOI: 10.1016/j.bmcl.2008.08.009 BindingDB Entry DOI: 10.7270/Q21R6QBZ
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