BDBM50605085 CHEMBL5204021

SMILES Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1

InChI Key InChIKey=MWXZKSDFCSPEBK-UHFFFAOYSA-N

Data  1 KI  18 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50605085   

TargetMuscarinic acetylcholine receptor M1(Rat)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 2.20nMAssay Description:Antagonist activity at rat muscarinic M1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 35nMAssay Description:Antagonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by Fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 36nMAssay Description:Antagonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by Fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 36nMAssay Description:Antagonist activity at human muscarinic M5 receptor expressed in CHO cells in the presence of acetylcholine by calcium mobilisation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M5(Rat)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataKi:  68nMAssay Description:Displacement of [3H]-NMS from rat muscarinic M5 receptor stably expressed in CHO cells membrane by topCount scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M5(Rat)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 125nMAssay Description:Antagonist activity at rat muscarinic M5 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 4.37E+3nMAssay Description:Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 4.38E+3nMAssay Description:Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 5.00E+3nMAssay Description:Antagonist activity at human muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as intracellular calcium mobilization by calci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 5.00E+3nMAssay Description:Antagonist activity at human muscarinic M2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 5.00E+3nMAssay Description:Antagonist activity at human muscarinic M1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 8.10E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition and measured after 8 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as intracellular calcium mobilization by calci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human muscarinic M4 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human muscarinic M3 receptor expressed in CHO cells co-expressing Gqi5 assessed as intracellular calcium mobilization by calci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human muscarinic M3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 1.24E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition and measured after 8...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition and measured after 8...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50605085(CHEMBL5204021)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by NADPH addition and measured a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed