BDBM50148491 CHEMBL326612::{3-[(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-propionylamino]-phenoxy}-acetic acid

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

InChI Key: InChIKey=PEQOUGKDQPMJIF-IGKIAQTJSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50148491   

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))	BDBM50148491 (CHEMBL326612 | {3-[(S)-2-[2-Hydroxy-2-((R)-4-hydro...) Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C27H31N3O9S/c1-27(18-8-10-20(38-2)11-9-18,26(35)29-19-5-4-6-21(14-19)39-16-25(33)34)28-15-24(32)17-7-12-23(31)22(13-17)30-40(3,36)37/h4-14,24,28,30-32H,15-16H2,1-3H3,(H,29,35)(H,33,34)/t24-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50148491 (CHEMBL326612 | {3-[(S)-2-[2-Hydroxy-2-((R)-4-hydro...) Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C27H31N3O9S/c1-27(18-8-10-20(38-2)11-9-18,26(35)29-19-5-4-6-21(14-19)39-16-25(33)34)28-15-24(32)17-7-12-23(31)22(13-17)30-40(3,36)37/h4-14,24,28,30-32H,15-16H2,1-3H3,(H,29,35)(H,33,34)/t24-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.60E+3	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