Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 564.7 BDBM50518994

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))	BDBM50518994 (CHEMBL4557995) Show SMILES CC(C)NC[C@H](O)COc1ccccc1OCCOCCOCCOc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H48N2O8/c1-23(2)31-19-25(33)21-39-29-11-7-5-9-27(29)37-17-15-35-13-14-36-16-18-38-28-10-6-8-12-30(28)40-22-26(34)20-32-24(3)4/h5-12,23-26,31-34H,13-22H2,1-4H3/t25-,26-/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	74	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518994 (CHEMBL4557995) Show SMILES CC(C)NC[C@H](O)COc1ccccc1OCCOCCOCCOc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H48N2O8/c1-23(2)31-19-25(33)21-39-29-11-7-5-9-27(29)37-17-15-35-13-14-36-16-18-38-28-10-6-8-12-30(28)40-22-26(34)20-32-24(3)4/h5-12,23-26,31-34H,13-22H2,1-4H3/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair