Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 420.5 BDBM50129447

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

Found 3 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))	BDBM50129447 (4-{(R)-2-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C21H28N2O5S/c1-2-3-12-28-19-8-10-20(11-9-19)29(26,27)23-14-17(15-23)22-13-21(25)16-4-6-18(24)7-5-16/h4-11,17,21-22,24-25H,2-3,12-15H2,1H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta2-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50129447 (4-{(R)-2-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C21H28N2O5S/c1-2-3-12-28-19-8-10-20(11-9-19)29(26,27)23-14-17(15-23)22-13-21(25)16-4-6-18(24)7-5-16/h4-11,17,21-22,24-25H,2-3,12-15H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta1-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129447 (4-{(R)-2-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C21H28N2O5S/c1-2-3-12-28-19-8-10-20(11-9-19)29(26,27)23-14-17(15-23)22-13-21(25)16-4-6-18(24)7-5-16/h4-11,17,21-22,24-25H,2-3,12-15H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair