BDBM50148522 (S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-N-(3-phenoxy-phenyl)-propionamide::CHEMBL117596

SMILES: COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(Oc2ccccc2)c1

InChI Key: InChIKey=GCSXRBNJMWEMSV-SMCANUKXSA-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 = 50148522   

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))	BDBM50148522 ((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...) Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C31H33N3O7S/c1-31(22-13-15-24(40-2)16-14-22,32-20-29(36)21-12-17-28(35)27(18-21)34-42(3,38)39)30(37)33-23-8-7-11-26(19-23)41-25-9-5-4-6-10-25/h4-19,29,32,34-36H,20H2,1-3H3,(H,33,37)/t29-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	490	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 towards human beta-3 adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 3525-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.074 BindingDB Entry DOI: 10.7270/Q2MP52Q7
					More data for this Ligand-Target Pair