BDBM50119195 CHEMBL317003::{1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-1H-indol-3-yl}-acetic acid
SMILES: CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(CC(O)=O)c2ccccc12
InChI Key: InChIKey=QUXVAAUXWISJKB-PMERELPUSA-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-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Binding affinity of compound against Beta-2 adrenergic receptor was determined | Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Binding affinity of compound against Beta-1 adrenergic receptor was determined | Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Beta-3 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta3-adrenoreceptor | Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Beta-1 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta1-adrenoreceptor | Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Beta-2 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta2-adrenoreceptor | Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ | |||||||||||
More data for this Ligand-Target Pair |