BDBM50160816 CHEMBL425161::Methanesulfonic acid 3-{(R)-2-[(R)-2-(3-but-2-enylamino-phenyl)-2-hydroxy-ethylamino]-propyl}-1H-indol-7-yl ester
SMILES: C\C=C\CNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
InChI Key: InChIKey=MAHXPPTYZZUPIK-SALYICCVSA-N
Data: 6 EC50
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)) | BDBM50160816 (CHEMBL425161 | Methanesulfonic acid 3-{(R)-2-[(R)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor | Bioorg Med Chem Lett 15: 1061-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.033 BindingDB Entry DOI: 10.7270/Q2TD9WVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50160816 (CHEMBL425161 | Methanesulfonic acid 3-{(R)-2-[(R)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor | Bioorg Med Chem Lett 15: 1061-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.033 BindingDB Entry DOI: 10.7270/Q2TD9WVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50160816 (CHEMBL425161 | Methanesulfonic acid 3-{(R)-2-[(R)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research Curated by ChEMBL | Assay Description Agonist activity at Homo sapiens (human) beta2 adrenoreceptor | Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50160816 (CHEMBL425161 | Methanesulfonic acid 3-{(R)-2-[(R)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research Curated by ChEMBL | Assay Description Agonist activity at Homo sapiens (human) beta3 adrenoreceptor | Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50160816 (CHEMBL425161 | Methanesulfonic acid 3-{(R)-2-[(R)-...) | 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 | 10 | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research Curated by ChEMBL | Assay Description Agonist activity at Homo sapiens (human) beta1 adrenoreceptor | Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50160816 (CHEMBL425161 | Methanesulfonic acid 3-{(R)-2-[(R)-...) | 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 | 170 | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-1 adrenergic receptor | Bioorg Med Chem Lett 15: 1061-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.033 BindingDB Entry DOI: 10.7270/Q2TD9WVK | |||||||||||
More data for this Ligand-Target Pair |