BDBM50148514 (S)-N-Benzo[1,3]dioxol-5-yl-2-[(R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-acetamide::CHEMBL333334

SMILES: COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2OCOc2c1

InChI Key: InChIKey=SUCUIQQTIPILON-URXFXBBRSA-N

Data: 2 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 3 hits for monomerid = 50148514   

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-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50148514 ((S)-N-Benzo[1,3]dioxol-5-yl-2-[(R)-2-hydroxy-2-(4-...) Show SMILES COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C25H27N3O8S/c1-34-18-7-3-15(4-8-18)24(25(31)27-17-6-10-22-23(12-17)36-14-35-22)26-13-21(30)16-5-9-20(29)19(11-16)28-37(2,32)33/h3-12,21,24,26,28-30H,13-14H2,1-2H3,(H,27,31)/t21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50148514 ((S)-N-Benzo[1,3]dioxol-5-yl-2-[(R)-2-hydroxy-2-(4-...) Show SMILES COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C25H27N3O8S/c1-34-18-7-3-15(4-8-18)24(25(31)27-17-6-10-22-23(12-17)36-14-35-22)26-13-21(30)16-5-9-20(29)19(11-16)28-37(2,32)33/h3-12,21,24,26,28-30H,13-14H2,1-2H3,(H,27,31)/t21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	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))	BDBM50148514 ((S)-N-Benzo[1,3]dioxol-5-yl-2-[(R)-2-hydroxy-2-(4-...) Show SMILES COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C25H27N3O8S/c1-34-18-7-3-15(4-8-18)24(25(31)27-17-6-10-22-23(12-17)36-14-35-22)26-13-21(30)16-5-9-20(29)19(11-16)28-37(2,32)33/h3-12,21,24,26,28-30H,13-14H2,1-2H3,(H,27,31)/t21-,24-/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	950	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