Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM25747'   

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))	BDBM25747 (4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihyd...) Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Würzburg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004) Article DOI: 10.1007/s00210-003-0860-y BindingDB Entry DOI: 10.7270/Q2PZ57C6
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25747 (4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihyd...) Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair