Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50099159'   

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))	BDBM50099159 (CHEMBL174442 | N-[2-Hydroxy-5-((R)-1-hydroxy-2-{1-...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1 |c:31| Show InChI InChI=1S/C29H37N5O5S2/c1-41(38,39)32-24-18-21(7-10-25(24)35)26(36)19-30-22-11-15-33(16-12-22)23-8-5-20(6-9-23)17-27-28(37)31-29(40-27)34-13-3-2-4-14-34/h5-10,17-18,22,26,30,32,35-36H,2-4,11-16,19H2,1H3/b27-17-/t26-/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	9	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
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