Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50500471'   

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))	BDBM50500471 (CHEMBL3746885) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@@H]2C(=O)OCC)C(=O)c1ccc(C[C@@H]2CC[C@@]([H])(N2)[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H32N2O4/c1-2-33-27(32)24-21-15-29(16-22(21)24)26(31)19-10-8-17(9-11-19)14-20-12-13-23(28-20)25(30)18-6-4-3-5-7-18/h3-11,20-25,28,30H,2,12-16H2,1H3/t20-,21-,22+,23+,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Displacement of [125I]CYP from human beta-2 adrenergic receptor expressed in CHO cell membrane after 1 hr by scintillation counting method				Bioorg Med Chem Lett 26: 55-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.030 BindingDB Entry DOI: 10.7270/Q29C71DN
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