BDBM50249403 CHEMBL4091821

SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C

InChI Key InChIKey=BPGQEZBPFDQHIA-UHFFFAOYSA-N

Data  5 IC50  15 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50249403   

TargetMuscarinic acetylcholine receptor M1(Rat)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at rat M1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Rat)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50:  12nMAssay Description:Positive allosteric modulation of rat M4 receptor assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50:  91nMAssay Description:Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 assessed as increase in acetylcholine-induced calcium mo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >5.00E+4nMAssay Description:Induction of CYP2B6 in cryopreserved human hepatocytes measured after 48 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >5.00E+4nMAssay Description:Induction of CYP1A2 in cryopreserved human hepatocytes measured after 48 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M5(Rat)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at rat M5 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Rat)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at rat M3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Rat)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at rat M2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >5.00E+4nMAssay Description:Induction of CYP3A4 in cryopreserved human hepatocytes measured after 48 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at human M3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at human M2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at human M1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Rat)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50:  11.7nMAssay Description:Positive allosteric modulation of rat M4 receptor assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50:  91nMAssay Description:Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 assessed as increase in acetylcholine-induced calcium mo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249403(CHEMBL4091821)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at human M5 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2019
Entry Details Article
PubMed