Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50569293'   

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))	BDBM50569293 (CHEMBL4874819) Show SMILES O[C@@H](CNCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:21.21,(24.25,-39.74,;25.59,-40.51,;26.92,-39.73,;28.26,-40.5,;29.59,-39.72,;30.92,-40.49,;32.25,-39.72,;33.59,-40.48,;34.92,-39.71,;36.26,-40.47,;37.6,-39.7,;37.59,-38.17,;38.91,-37.39,;40.26,-38.15,;40.26,-39.7,;38.93,-40.47,;41.6,-40.46,;42.93,-39.69,;44.26,-40.45,;44.27,-42,;45.59,-39.67,;46.93,-40.44,;46.92,-41.99,;48.25,-42.75,;49.59,-41.98,;49.59,-40.44,;48.25,-39.67,;49.01,-41,;47.47,-41.41,;41.6,-42,;40.26,-42.77,;40.27,-44.31,;41.6,-45.07,;42.94,-44.29,;42.93,-42.76,;25.59,-42.05,;24.26,-42.82,;24.26,-44.36,;25.6,-45.13,;25.6,-46.67,;26.93,-44.36,;28.26,-45.13,;29.6,-44.36,;30.93,-45.13,;29.6,-42.81,;28.26,-42.03,;26.93,-42.81,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127975 BindingDB Entry DOI: 10.7270/Q2F193HC
					More data for this Ligand-Target Pair