Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50378066'   

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))	BDBM50378066 (CHEMBL1203994) Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2[N+]([O-])=O)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C24H26N4O4S/c29-20(17-32-21-6-2-1-3-7-21)16-25-15-14-18-10-12-19(13-11-18)26-24(33)27-22-8-4-5-9-23(22)28(30)31/h1-13,20,25,29H,14-17H2,(H2,26,27,33)/t20-/m0/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	20	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50378066 (CHEMBL1203994) Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2[N+]([O-])=O)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C24H26N4O4S/c29-20(17-32-21-6-2-1-3-7-21)16-25-15-14-18-10-12-19(13-11-18)26-24(33)27-22-8-4-5-9-23(22)28(30)31/h1-13,20,25,29H,14-17H2,(H2,26,27,33)/t20-/m0/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	>1.00E+5	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...				Bioorg Med Chem 17: 5510-9 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.06.031 BindingDB Entry DOI: 10.7270/Q23F4QKV
					More data for this Ligand-Target Pair