BDBM50066861 BA-679-BR::Spiriva::TIOTROPIUM BROMIDE::Tiotropium Bromide::Tiotropium Bromide Monohydrate
SMILES: O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1
InChI Key: InChIKey=LERNTVKEWCAPOY-DZZGSBJMSA-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 M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to human M3 D518A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Antagonist activity at human M3 receptor expressed in CHO cells assessed as inhibition of carbachol-induced response after 30 mins by AP-1-driven luc... | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to human M3 K523A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to human M3 K213A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to human M3 R133A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to human M3 F225A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to human M3 E220A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to human M3 F222A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to human M2 receptor | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to human M3 E228A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Binding affinity to human M3 Q224A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay | J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer Curated by ChEMBL | Assay Description Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method | Bioorg Med Chem Lett 25: 1736-41 (2015) Article DOI: 10.1016/j.bmcl.2015.02.065 BindingDB Entry DOI: 10.7270/Q21R6S60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer Curated by ChEMBL | Assay Description Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method | Bioorg Med Chem Lett 25: 1736-41 (2015) Article DOI: 10.1016/j.bmcl.2015.02.065 BindingDB Entry DOI: 10.7270/Q21R6S60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human)) | BDBM50066861 (BA-679-BR | Spiriva | TIOTROPIUM BROMIDE | Tiotrop...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer Curated by ChEMBL | Assay Description Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method | Bioorg Med Chem Lett 25: 1736-41 (2015) Article DOI: 10.1016/j.bmcl.2015.02.065 BindingDB Entry DOI: 10.7270/Q21R6S60 | |||||||||||
More data for this Ligand-Target Pair |