Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 464.5 BDBM50328321

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))	BDBM50328321 (1-(4-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-y...) Show SMILES OC(COc1ccccc1)CN1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12 Show InChI InChI=1S/C25H25FN4O2S/c26-19-8-6-18(7-9-19)22-16-33-25-23(22)24(27-17-28-25)30-12-10-29(11-13-30)14-20(31)15-32-21-4-2-1-3-5-21/h1-9,16-17,20,31H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair