Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50538800'   

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))	BDBM50538800 (CHEMBL4645203) Show SMILES Cl.COc1ccc(CCC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |r| Show InChI InChI=1S/C22H28N2O5.ClH/c1-22(2,9-8-14-4-6-16(28-3)7-5-14)23-12-19(26)17-10-15(25)11-18-21(17)29-13-20(27)24-18;/h4-7,10-11,19,23,25-26H,8-9,12-13H2,1-3H3,(H,24,27);1H/t19-;/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	n/a	n/a	0.0355	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115178 BindingDB Entry DOI: 10.7270/Q2BP0694
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