BDBM50549891 CHEMBL4790083

SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N

InChI Key InChIKey=WKWYANDGYZVVAK-UHFFFAOYSA-N

Data  4 KI  12 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 16 hits for monomerid = 50549891   

TargetCytochrome P450 3A4(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP3A4 in pooled human liver microsomes using midazolam as substrate incubated for 5 mins by LC-MS/MSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2D6 in pooled human liver microsomes using dextromethorphan as substrate incubated for 20 mins by LC-MS/MSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C9 in pooled human liver microsomes using diclofenac as substrate incubated for 5 mins by LC-MS/MSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 20nMAssay Description:Antagonist activity at human recombinant muscarinic receptor M4 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 22nMAssay Description:Antagonist activity at human recombinant muscarinic receptor M4 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 50nMAssay Description:Antagonist activity at human recombinant muscarinic receptor M3 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 55nMAssay Description:Antagonist activity at human recombinant muscarinic receptor M3 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 200nMAssay Description:Antagonist activity at human recombinant muscarinic receptor M2 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 200nMAssay Description:Antagonist activity at human recombinant muscarinic receptor M2 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 1.60nMAssay Description:Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 1.58nMAssay Description:Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataKi:  0.140nMAssay Description:Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataKi:  0.840nMAssay Description:Displacement of [3H]NMS from human recombinant muscarinic receptor M3 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataKi:  6.5nMAssay Description:Displacement of [3H]NMS from human recombinant muscarinic receptor M4 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Pipeline Therapeutics

Curated by ChEMBL
LigandPNGBDBM50549891(CHEMBL4790083)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed