Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50264674'   

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))	BDBM50264674 ((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...) Show SMILES COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r| Show InChI InChI=1S/C24H24ClNO5/c1-30-23-9-8-20(14-21(23)24(28)29)31-19-7-2-4-16(12-19)10-11-26-15-22(27)17-5-3-6-18(25)13-17/h2-9,12-14,22,26-27H,10-11,15H2,1H3,(H,28,29)/t22-/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	510	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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