Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1/Beta-2/Beta-3 adrenergic receptor' and Ligand = 'BDBM50228554'   

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-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50228554 (CHEMBL95795) Show SMILES CC(=O)Nc1ccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C22H30N4O5S/c1-17(27)23-18-5-9-22(10-6-18)31-16-21(28)15-25-11-13-26(14-12-25)20-7-3-19(4-8-20)24-32(2,29)30/h3-10,21,24,28H,11-16H2,1-2H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.93E+5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...				J Med Chem 33: 2883-91 (1990) BindingDB Entry DOI: 10.7270/Q2416XN5
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