BDBM50296345 (1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl-acetoxy)-9,9-dimethyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane bromide::CHEMBL258622::Tiotropium Bromide

SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1

InChI Key InChIKey=LERNTVKEWCAPOY-USXSHJJOSA-N

Data  16 KI  10 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50296345   

TargetMuscarinic acetylcholine receptor M4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.00780nMAssay Description:Displacement of [3H]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.00980nMAssay Description:Displacement of [3H]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.0130nMAssay Description:Displacement of [3H]-NMS from human recombinant M1 receptor expressed in CHO cells after 24 hrs by filter binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.0215nMAssay Description:Displacement of [3H]-NMS from human recombinant M2 receptor expressed in CHO cells after 24 hrs by filter binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M5(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.0266nMAssay Description:Displacement of [3H]-NMS from human recombinant M5 receptor expressed in CHO cells after 24 hrs by filter binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.0316nMAssay Description:Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.0340nMAssay Description:Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assayChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.0510nMAssay Description:Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.0610nMAssay Description:Displacement of [3H]-NMS from human recombinant M2 receptor expressed in CHO cells after 2 hrs by filter binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.0750nMAssay Description:Displacement of [3H]-NMS from human recombinant M3 receptor expressed in CHO cells after 2 hrs by filter binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.100nMAssay Description:Binding affinity to muscarinic M2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.120nMAssay Description:Binding affinity to muscarinic M1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.140nMAssay Description:Binding affinity to muscarinic M3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Rat)
Astellas Pharma

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.150nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Rat)
Astellas Pharma

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.160nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Rat)
Astellas Pharma

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataIC50:  0.0398nMAssay Description:Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataIC50:  0.0316nMAssay Description:Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataIC50:  0.0316nMAssay Description:Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataIC50:  0.0501nMAssay Description:Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataIC50:  0.350nMAssay Description:Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHOK1 cells by microplate scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataIC50:  0.210nMAssay Description:Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHOK1 cells by microplate scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataIC50:  0.220nMAssay Description:Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBeta-2 adrenergic receptor(Human)
Theravance Biopharma

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataEC50: <1.00E+4nMAssay Description:Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as cAMP accumulation using [125I]cAMP by scintillation countin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor(Guinea pig)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataIC50:  0.410nMAssay Description:Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig tracheal strips assessed as inhibition of electrically field-stimulated contractile r...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M5(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataIC50:  0.100nMAssay Description:Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataIC50:  0.0631nMAssay Description:Displacement of [3H]NMS from recombinant human M2 receptor expressed in CHO-K1 cells after 16 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed