BDBM50148511 (S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-N-(3,4,5-trichloro-phenyl)-propionamide::CHEMBL333551

SMILES: COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1

InChI Key: InChIKey=RAOCKXZPQJALPA-DHLKQENFSA-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 = 50148511   

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))	BDBM50148511 ((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)Nc1cc(Cl)c(Cl)c(Cl)c1 Show InChI InChI=1S/C25H26Cl3N3O6S/c1-25(15-5-7-17(37-2)8-6-15,24(34)30-16-11-18(26)23(28)19(27)12-16)29-13-22(33)14-4-9-21(32)20(10-14)31-38(3,35)36/h4-12,22,29,31-33H,13H2,1-3H3,(H,30,34)/t22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	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))	BDBM50148511 ((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)Nc1cc(Cl)c(Cl)c(Cl)c1 Show InChI InChI=1S/C25H26Cl3N3O6S/c1-25(15-5-7-17(37-2)8-6-15,24(34)30-16-11-18(26)23(28)19(27)12-16)29-13-22(33)14-4-9-21(32)20(10-14)31-38(3,35)36/h4-12,22,29,31-33H,13H2,1-3H3,(H,30,34)/t22-,25-/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	3.40E+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