Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50160818'   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50160818 (CHEMBL181440 | Methanesulfonic acid (R)-3-{2-[(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H29N3O6S2/c1-18(14-20-16-28-26-23(20)12-7-13-25(26)35-36(2,31)32)27-17-24(30)19-8-6-9-21(15-19)29-37(33,34)22-10-4-3-5-11-22/h3-13,15-16,18,24,27-30H,14,17H2,1-2H3/t18-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Effective concentration against human beta-2 adrenergic receptor				Bioorg Med Chem Lett 15: 1061-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.033 BindingDB Entry DOI: 10.7270/Q2TD9WVK
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