Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50326553'   

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))	BDBM50326553 (2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methyls...) Show SMILES C[C@H](Cc1cccc(CC(=O)NCCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C29H37N3O5S/c1-21(31-20-28(34)25-13-14-27(33)26(19-25)32-38(2,36)37)16-23-10-6-11-24(17-23)18-29(35)30-15-7-12-22-8-4-3-5-9-22/h3-6,8-11,13-14,17,19,21,28,31-34H,7,12,15-16,18,20H2,1-2H3,(H,30,35)/t21-,28+/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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