BDBM50148512 (S)-N-[3-(2-Dimethylamino-ethoxy)-phenyl]-2-[(R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-propionamide::CHEMBL331027

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

InChI Key: InChIKey=FDIMPSPXYRRAAO-YTMVLYRLSA-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 = 50148512   

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))	BDBM50148512 ((S)-N-[3-(2-Dimethylamino-ethoxy)-phenyl]-2-[(R)-2...) Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(OCCN(C)C)c1 Show InChI InChI=1S/C29H38N4O7S/c1-29(21-10-12-23(39-4)13-11-21,28(36)31-22-7-6-8-24(18-22)40-16-15-33(2)3)30-19-27(35)20-9-14-26(34)25(17-20)32-41(5,37)38/h6-14,17-18,27,30,32,34-35H,15-16,19H2,1-5H3,(H,31,36)/t27-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	520	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))	BDBM50148512 ((S)-N-[3-(2-Dimethylamino-ethoxy)-phenyl]-2-[(R)-2...) Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(OCCN(C)C)c1 Show InChI InChI=1S/C29H38N4O7S/c1-29(21-10-12-23(39-4)13-11-21,28(36)31-22-7-6-8-24(18-22)40-16-15-33(2)3)30-19-27(35)20-9-14-26(34)25(17-20)32-41(5,37)38/h6-14,17-18,27,30,32,34-35H,15-16,19H2,1-5H3,(H,31,36)/t27-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Effective concentration required for inhibitory activity towards human beta-1 adrenergic receptor				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