Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50326538'   

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))	BDBM50326538 ((R)-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfo...) Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccc(cc2)-c2ccc(O)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C34H39N3O6S/c1-34(2,36-22-32(40)28-13-16-31(39)30(19-28)37-44(3,42)43)20-25-6-4-5-24(17-25)18-33(41)35-21-23-7-9-26(10-8-23)27-11-14-29(38)15-12-27/h4-17,19,32,36-40H,18,20-22H2,1-3H3,(H,35,41)/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.240	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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