BDBM50538312 CHEMBL4641726

SMILES CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O

InChI Key InChIKey=IEEFWRMSEALUNN-UHFFFAOYSA-N

Data  5 KI  3 IC50  7 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50538312   

TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataIC50: 224nMAssay Description:Antagonist activity at human muscarinic M2 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as inhibition of carbachol-induced...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataIC50: 39nMAssay Description:Antagonist activity at human muscarinic M2 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as inhibition of carbachol-induced...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataIC50: 102nMAssay Description:Antagonist activity at human muscarinic M4 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as inhibition of carbachol-induced...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKd:  6.5nMAssay Description:Binding affinity to human muscarinic M1 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKd:  0.891nMAssay Description:Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKd:  9.5nMAssay Description:Binding affinity to human muscarinic M4 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKd:  4.70nMAssay Description:Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark measured after 60 mins by Hoechst H33342 dye based confo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKd:  0.480nMAssay Description:Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells at 22 +/- 1 degree C preincubated for 180 mins followed by atropine additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKd:  0.891nMAssay Description:Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKd:  4.68nMAssay Description:Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark measured after 60 mins by Hoechst H33342 dye based confo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKi:  0.525nMAssay Description:Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]-NMS from human muscarinic M4 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKi:  2.90nMAssay Description:Displacement of [3H]-NMS from human muscarinic M1 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKi:  81nMAssay Description:Displacement of [3H]-NMS from human muscarinic M3 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50538312(CHEMBL4641726)
Affinity DataKi:  135nMAssay Description:Displacement of [3H]-NMS from human muscarinic M5 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed