Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50470919'   

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))	BDBM50470919 (CHEMBL332964) Show SMILES CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1I Show InChI InChI=1S/C18H19IN2O3/c1-10(22)21-15-3-2-11(6-14(15)19)7-16-13-9-18(24)17(23)8-12(13)4-5-20-16/h2-3,6,8-9,16,20,23-24H,4-5,7H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...				J Med Chem 39: 3701-11 (1996) Article DOI: 10.1021/jm960208o BindingDB Entry DOI: 10.7270/Q2Q52SBM
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