Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50119195'   

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))	BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C31H36N4O8S2/c1-44(40,41)33-27-16-22(6-11-29(27)36)30(37)19-32-18-21-12-14-34(15-13-21)45(42,43)25-9-7-24(8-10-25)35-20-23(17-31(38)39)26-4-2-3-5-28(26)35/h2-11,16,20-21,30,32-33,36-37H,12-15,17-19H2,1H3,(H,38,39)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-2 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C31H36N4O8S2/c1-44(40,41)33-27-16-22(6-11-29(27)36)30(37)19-32-18-21-12-14-34(15-13-21)45(42,43)25-9-7-24(8-10-25)35-20-23(17-31(38)39)26-4-2-3-5-28(26)35/h2-11,16,20-21,30,32-33,36-37H,12-15,17-19H2,1H3,(H,38,39)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta2-adrenoreceptor				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair