Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50264139'   

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))	BDBM50264139 (3-(3-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethyl...) Show SMILES C[C@H](Cc1cccc(Oc2cccc(c2)C(O)=O)c1)NC[C@H](O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C24H24ClNO4/c1-16(26-15-23(27)18-6-3-8-20(25)13-18)11-17-5-2-9-21(12-17)30-22-10-4-7-19(14-22)24(28)29/h2-10,12-14,16,23,26-27H,11,15H2,1H3,(H,28,29)/t16-,23+/m1/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	1.90	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta3 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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