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
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...) | 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...) | 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 |