Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50027816'   

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))	BDBM50027816 (CHEMBL154370) Show SMILES C[C@H](CNc1ccc(CC(=O)NCc2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C27H32ClN3O2/c1-19-6-8-22(9-7-19)17-31-27(33)14-21-10-12-25(13-11-21)30-16-20(2)29-18-26(32)23-4-3-5-24(28)15-23/h3-13,15,20,26,29-30,32H,14,16-18H2,1-2H3,(H,31,33)/t20-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
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