BDBM50577263 CHEMBL4850236

SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F

InChI Key InChIKey=ITSKPCHXUYILTR-UHFFFAOYSA-N

Data  1 KI  14 IC50  3 EC50

  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 18 hits for monomerid = 50577263   

TargetCytochrome P450 2C9(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 1.00E+5nMAssay Description:Time dependent inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human muscarinic M5 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 431nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataEC50:  1.90E+3nMAssay Description:Induction of CYP3A4 in human hepatocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataEC50:  1.90E+3nMAssay Description:Induction of CYP2B6 in human hepatocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataEC50:  1.90E+3nMAssay Description:Induction of CYP1A2 in human hepatocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 1.00E+5nMAssay Description:Time dependent inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 1.00E+5nMAssay Description:Time dependent inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Rat)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 145nMAssay Description:Displacement of [3H]NMS from rat muscarinic receptor M4 expressed in CHO cell membranes incubated for 3 hrs by radiometric scintillation counting ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human muscarinic M3 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human muscarinic M1 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 4.5nMAssay Description:Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 4.5nMAssay Description:Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 4.10nMAssay Description:Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 4.10nMAssay Description:Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 4.70E+3nMAssay Description:Antagonist activity at human muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataIC50: 3.50E+3nMAssay Description:Antagonist activity at human muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50577263(CHEMBL4850236)
Affinity DataKi:  17nMAssay Description:Inhibition of human sigma1 receptor by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed