Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50326552'   

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))	BDBM50326552 (2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methyls...) Show SMILES COc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 |r| Show InChI InChI=1S/C28H35N3O6S/c1-19(29-18-26(33)22-11-12-25(32)24(16-22)31-38(3,35)36)13-20-7-6-8-21(14-20)15-28(34)30-17-23-9-4-5-10-27(23)37-2/h4-12,14,16,19,26,29,31-33H,13,15,17-18H2,1-3H3,(H,30,34)/t19-,26+/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	0.0400	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...				J Med Chem 53: 6640-52 (2010) Article DOI: 10.1021/jm1005989 BindingDB Entry DOI: 10.7270/Q2X0678R
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