BDBM50119183 1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-3-octyl-urea::CHEMBL102194
SMILES: CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
InChI Key: InChIKey=FWCXTGWPWWYCFC-MHZLTWQESA-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-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50119183 (1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...) | 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 | 887 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor | Bioorg Med Chem Lett 12: 2957-61 (2002) BindingDB Entry DOI: 10.7270/Q2HT2NP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50119183 (1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Compound was tested for the antagonistic activity against Beta-1 adrenergic receptor | Bioorg Med Chem Lett 12: 2957-61 (2002) BindingDB Entry DOI: 10.7270/Q2HT2NP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50119183 (1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...) | 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 | 49 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor | Bioorg Med Chem Lett 12: 2957-61 (2002) BindingDB Entry DOI: 10.7270/Q2HT2NP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50119183 (1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Compound was tested for the antagonistic activity against Beta-2 adrenergic receptor | Bioorg Med Chem Lett 12: 2957-61 (2002) BindingDB Entry DOI: 10.7270/Q2HT2NP4 | |||||||||||
More data for this Ligand-Target Pair |