Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50070171'   

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))	BDBM50070171 (CHEMBL13467 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C32H44N4O6S/c1-2-3-4-5-6-7-21-34-32(39)35-26-12-18-31(19-13-26)43(40,41)36-27-10-8-25(9-11-27)20-22-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33,36-38H,2-7,20-24H2,1H3,(H2,34,35,39)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards human Beta-3 adrenergic receptor				Bioorg Med Chem Lett 8: 1107-12 (1999) BindingDB Entry DOI: 10.7270/Q2QZ2942
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