BDBM50214233 CHEMBL250553::N-(5-((S)-3-((R)-1-(3,4-bis(difluoromethoxy)phenyl)-2-phenylethylamino)-2-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide
SMILES: CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O
InChI Key: InChIKey=FELOGKHNKMHLIR-VQTJNVASSA-N
Data: 3 KI
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)) | BDBM50214233 (CHEMBL250553 | N-(5-((S)-3-((R)-1-(3,4-bis(difluor...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 19 | 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 Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells | Bioorg Med Chem Lett 17: 4290-6 (2007) Article DOI: 10.1016/j.bmcl.2007.05.030 BindingDB Entry DOI: 10.7270/Q2M61JZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50214233 (CHEMBL250553 | N-(5-((S)-3-((R)-1-(3,4-bis(difluor...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 102 | 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 Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells | Bioorg Med Chem Lett 17: 4290-6 (2007) Article DOI: 10.1016/j.bmcl.2007.05.030 BindingDB Entry DOI: 10.7270/Q2M61JZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50214233 (CHEMBL250553 | N-(5-((S)-3-((R)-1-(3,4-bis(difluor...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 690 | 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 Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells | Bioorg Med Chem Lett 17: 4290-6 (2007) Article DOI: 10.1016/j.bmcl.2007.05.030 BindingDB Entry DOI: 10.7270/Q2M61JZT | |||||||||||
More data for this Ligand-Target Pair |