BDBM50106818 CHEMBL102522::N-(2-Hydroxy-5-{1-hydroxy-2-[2-(4-methoxy-phenyl)-ethylamino]-ethyl}-phenyl)-methanesulfonamide

SMILES: COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1

InChI Key: InChIKey=LYPHXRVPGKYZDR-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50106818   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50106818 (CHEMBL102522 | N-(2-Hydroxy-5-{1-hydroxy-2-[2-(4-m...) Show SMILES COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 Show InChI InChI=1S/C18H24N2O5S/c1-25-15-6-3-13(4-7-15)9-10-19-12-18(22)14-5-8-17(21)16(11-14)20-26(2,23)24/h3-8,11,18-22H,9-10,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	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 against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol				Bioorg Med Chem Lett 11: 3035-9 (2001) BindingDB Entry DOI: 10.7270/Q2MS3T97
					More data for this Ligand-Target Pair