Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 413.5 BDBM50348432

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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))	BDBM50348432 (CHEMBL1800935) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCCCCCCc1ccccc1 Show InChI InChI=1S/C26H39NO3/c28-21-24-19-23(16-17-25(24)29)26(30)20-27-18-12-7-5-3-1-2-4-6-9-13-22-14-10-8-11-15-22/h8,10-11,14-17,19,26-30H,1-7,9,12-13,18,20-21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [125I]-CYP from human beta2-adrenergic receptor expressed in COS-7 cells by gamma counting				Bioorg Med Chem 18: 728-36 (2010) Article DOI: 10.1016/j.bmc.2009.11.062 BindingDB Entry DOI: 10.7270/Q2R78FJF
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50348432 (CHEMBL1800935) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCCCCCCc1ccccc1 Show InChI InChI=1S/C26H39NO3/c28-21-24-19-23(16-17-25(24)29)26(30)20-27-18-12-7-5-3-1-2-4-6-9-13-22-14-10-8-11-15-22/h8,10-11,14-17,19,26-30H,1-7,9,12-13,18,20-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [125I]-CYP from human beta1-adrenergic receptor expressed in COS-7 cells by gamma counting				Bioorg Med Chem 18: 728-36 (2010) Article DOI: 10.1016/j.bmc.2009.11.062 BindingDB Entry DOI: 10.7270/Q2R78FJF
					More data for this Ligand-Target Pair