Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 363.4 BDBM84257Purchase

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM84257 (4-[[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl...) Show SMILES CCOC(=O)c1ccc(NC(=O)Cc2coc3cc4CCCc4cc23)cc1 Show InChI InChI=1S/C22H21NO4/c1-2-26-22(25)14-6-8-18(9-7-14)23-21(24)12-17-13-27-20-11-16-5-3-4-15(16)10-19(17)20/h6-11,13H,2-5,12H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	7.53E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2RB734K
					More data for this Ligand-Target Pair