BDBM50241132 3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.0*2,4*]non-7-yl ester::7-(3-Hydroxy-2-phenyl-propionyloxy)-9,9-dimethyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane::CHEMBL376897::METHSCOPOLAMINE::Methyl scopolamine::N-METHYLSCOPOLAMINE

SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1

InChI Key InChIKey=LZCOQTDXKCNBEE-IKIFYQGPSA-N

Data  29 KI  8 IC50  2 EC50

PDB links: 4 PDB IDs match this monomer.

  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 39 hits for monomerid = 50241132   

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.0631nMAssay Description:Displacement of [3H]UNSW-MK259 from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M1(Human)
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.0955nMAssay Description:Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.135nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M3(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.135nMAssay Description:Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M4(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.141nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M4(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.141nMAssay Description:Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Rat)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.158nMAssay Description:Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heartMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M1(Human)
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.170nMAssay Description:Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in pre...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.178nMAssay Description:Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.178nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M1(Rat)
National Institute For Medical Research

Curated by PDSP Ki Database
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M5(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.209nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M5(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.209nMAssay Description:Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Rat)
National Institute For Medical Research

Curated by PDSP Ki Database
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.25nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Rat)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.300nMMore data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Rat)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.310nMMore data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M1(Human)
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.324nMAssay Description:Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M1(Human)
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.324nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.331nMAssay Description:Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.427nMAssay Description:Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.437nMAssay Description:Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Rat)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.460nMMore data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Rat)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.460nMMore data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M3(Rat)
National Institute For Medical Research

Curated by PDSP Ki Database
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.501nMAssay Description:Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Rat)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.630nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  0.724nMAssay Description:Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M5(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]-NMS from wild-type human muscarinic M5 receptor expressed in CHO-K1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]UR-AP060 from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenate after 3 hrs by liquid scintillation c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]-NMS from human muscarinic M2 Y104A mutant expressed in Flp-In-CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M5(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataIC50:  2.30nMAssay Description:Compound was evaluated for its binding affinity at human muscarinic receptor m5 by the displacement of [3H]-NMS radioligand using membranes from tran...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M3(Rat)
National Institute For Medical Research

Curated by PDSP Ki Database
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataEC50:  0.195nMAssay Description:Stimulation of disulfide bond cross-linking formation in rat M3'(3C)-Xa receptor F92C/F550C mutant expressed in african green monkey COS7 cells by sc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M3(Rat)
National Institute For Medical Research

Curated by PDSP Ki Database
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataEC50:  0.0500nMAssay Description:Stimulation of disulfide bond cross-linking formation in rat M3'(3C)-Xa receptor A91C/T549C mutant expressed in african green monkey COS7 cells by sc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M1(Human)
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataIC50:  1.80nMAssay Description:Compound was evaluated for its binding affinity at human muscarinic receptor m1 by displacement of [3H]-NMS radioligand using membranes in transfecte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataIC50:  4.30nMAssay Description:Compound was evaluated for its binding affinity at human muscarinic receptor m2 by displacement of [3H]NMS radioligand using membranes from transfect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataIC50:  437nMAssay Description:Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 0.1 nM after 2 hrs by li...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataIC50:  398nMAssay Description:Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 0.2 nM after 2 hrs by li...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M3(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataIC50:  1.10nMAssay Description:Compound was evaluated for its binding affinity at human muscarinic receptor m3 by the displacement of [3H]NMS radioligand using membranes from trans...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMuscarinic acetylcholine receptor M4(Human)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataIC50:  2.30nMAssay Description:Compound was evaluated for its binding affinity at human muscarinic receptor m4 by the displacement of [3H]NMS radioligand using membranes from trans...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50241132(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Affinity DataIC50:  501nMAssay Description:Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 2 nM after 2 hrs by liqu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)