Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 586.7 BDBM50148512

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

Found 1 hit 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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50148512 ((S)-N-[3-(2-Dimethylamino-ethoxy)-phenyl]-2-[(R)-2...) Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(OCCN(C)C)c1 Show InChI InChI=1S/C29H38N4O7S/c1-29(21-10-12-23(39-4)13-11-21,28(36)31-22-7-6-8-24(18-22)40-16-15-33(2)3)30-19-27(35)20-9-14-26(34)25(17-20)32-41(5,37)38/h6-14,17-18,27,30,32,34-35H,15-16,19H2,1-5H3,(H,31,36)/t27-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 3525-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.074 BindingDB Entry DOI: 10.7270/Q2MP52Q7
					More data for this Ligand-Target Pair