Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 564.6 BDBM484073

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM484073 ((S)-1-((R)-8-(1H- pyrrolo[3,2-b]pyridin-6- ylsulfo...) Show SMILES CS(=O)(=O)c1cccc(OC[C@@H](O)CN[C@H]2COC3(C2)CCN(CC3)S(=O)(=O)c2cnc3cc[nH]c3c2)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484073 ((S)-1-((R)-8-(1H- pyrrolo[3,2-b]pyridin-6- ylsulfo...) Show SMILES CS(=O)(=O)c1cccc(OC[C@@H](O)CN[C@H]2COC3(C2)CCN(CC3)S(=O)(=O)c2cnc3cc[nH]c3c2)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair