Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50099152'   

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))	BDBM50099152 (CHEMBL366395 | N-{5-[(R)-2-(1-{4-[2-(1-Benzyl-pipe...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(C=C2SC(NC3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 |w:26.27,c:47| Show InChI InChI=1S/C36H44N6O5S2/c1-49(46,47)40-31-22-27(9-12-32(31)43)33(44)23-37-28-15-19-42(20-16-28)30-10-7-25(8-11-30)21-34-35(45)39-36(48-34)38-29-13-17-41(18-14-29)24-26-5-3-2-4-6-26/h2-12,21-22,28-29,33,37,40,43-44H,13-20,23-24H2,1H3,(H,38,39,45)/t33-/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	90	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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