BDBM50106808 6-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-7-phenyl-heptanoic acid methyl ester::CHEMBL102364

SMILES: COC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1

InChI Key: InChIKey=SAMMWGASWGWLGX-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 = 50106808   

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))	BDBM50106808 (6-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-p...) Show SMILES COC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C23H32N2O6S/c1-31-23(28)11-7-6-10-19(14-17-8-4-3-5-9-17)24-16-22(27)18-12-13-21(26)20(15-18)25-32(2,29)30/h3-5,8-9,12-13,15,19,22,24-27H,6-7,10-11,14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	570	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