Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50232761'   

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))	BDBM50232761 (CHEMBL4097144) Show SMILES Cc1cc(O)c(CN2CCCC2)c2O\C(=C/c3cc4ccccc4o3)C(=O)c12 Show InChI InChI=1S/C23H21NO4/c1-14-10-18(25)17(13-24-8-4-5-9-24)23-21(14)22(26)20(28-23)12-16-11-15-6-2-3-7-19(15)27-16/h2-3,6-7,10-12,25H,4-5,8-9,13H2,1H3/b20-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
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