BDBM103740 US8551978, 266::US8816088, I-4::US9394275, I-4::US9572802, Compound I-4::US9682957, I-4
SMILES: COc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
InChI Key: InChIKey=BORASJFEKISWCW-KDXMTYKHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM103740 (US8551978, 266 | US8816088, I-4 | US9394275, I-4 |...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc. US Patent | Assay Description Radioligand binding assay using muscarinic receptors. | US Patent US8551978 (2013) BindingDB Entry DOI: 10.7270/Q2Q81BPC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM103740 (US8551978, 266 | US8816088, I-4 | US9394275, I-4 |...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Respiratory Company, LLC US Patent | Assay Description Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 uL. CHO cell me... | US Patent US8816088 (2014) BindingDB Entry DOI: 10.7270/Q2TQ6068 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM103740 (US8551978, 266 | US8816088, I-4 | US9394275, I-4 |...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | -14.2 | n/a | n/a | n/a | n/a | n/a | n/a | 37 |
Theravance Respiratory Company, LLC US Patent | Assay Description Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentr... | US Patent US9394275 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SS8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM103740 (US8551978, 266 | US8816088, I-4 | US9394275, I-4 |...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Respiratory Company LLC US Patent | Assay Description compounds were performed with [3H]NMS at 1 nM and eleven different test compound concentrations. The test compounds were initially dissolved to a con... | US Patent US9572802 (2017) BindingDB Entry DOI: 10.7270/Q2VH5QWS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM103740 (US8551978, 266 | US8816088, I-4 | US9394275, I-4 |...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Respiratory Company, LLC US Patent | Assay Description Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce... | US Patent US9682957 (2017) BindingDB Entry DOI: 10.7270/Q23776WR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM103740 (US8551978, 266 | US8816088, I-4 | US9394275, I-4 |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | 25 |
Theravance Respiratory Company, LLC US Patent | Assay Description cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, P... | US Patent US9682957 (2017) BindingDB Entry DOI: 10.7270/Q23776WR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM103740 (US8551978, 266 | US8816088, I-4 | US9394275, I-4 |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | 37 |
Theravance Respiratory Company, LLC US Patent | Assay Description cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, P... | US Patent US9394275 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SS8 | |||||||||||
More data for this Ligand-Target Pair |