Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50243484'   

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50243484 (4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-...) Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO5/c1-19(2)18-33-26-16-22(10-13-24(26)27(30)31)20-8-11-23(12-9-20)32-15-14-28-17-25(29)21-6-4-3-5-7-21/h3-13,16,19,25,28-29H,14-15,17-18H2,1-2H3,(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	0.550	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
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