Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50002602'   

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))	BDBM50002602 (CHEMBL205389) Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cncc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O3/c23-19-5-1-4-16(10-19)21(27)14-24-7-8-26-20-6-2-3-15(11-20)17-9-18(22(28)29)13-25-12-17/h1-6,9-13,21,24,26-27H,7-8,14H2,(H,28,29)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
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