BDBM50451549 CHEMBL4207737

SMILES COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F

InChI Key InChIKey=VFNHDIWHQGVWLL-UHFFFAOYSA-N

Data  5 IC50  10 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50451549   

TargetMuscarinic acetylcholine receptor M4(RAT)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataEC50:  225nMAssay Description:Positive allosteric modulation of rat M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mob...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataEC50: >3.00E+4nMAssay Description:Positive allosteric modulator activity at human M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as maximal response to ACh by calcium ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataEC50:  79nMAssay Description:Positive allosteric modulator activity at human M4 receptor expressed in CHO cells co-expressing Gqi5 in presence of EC20 concentration of acetylchol...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataEC50:  56nMAssay Description:Positive allosteric modulator activity at human M4 receptor expressed in CHO cells co-expressing Gqi5 in presence of EC20 concentration of acetylchol...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M4(RAT)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataEC50:  27nMAssay Description:Positive allosteric modulator activity at rat M4 receptor expressed in CHO cells co-expressing Gqi5 in presence of EC20 concentration of acetylcholin...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP34A in human liver microsomes using midazolam as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataEC50: >5.00E+4nMAssay Description:Activation of CYP34A in human hepatocyte using midazolam as substrate preincubated for 5 days followed by substrate addition and measured after 1 hr ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataEC50: >5.00E+4nMAssay Description:Activation of CYP2B6 in human hepatocyte using bupropion as substrate preincubated for 5 days followed by substrate addition and measured after 1 hr ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataEC50: >5.00E+4nMAssay Description:Activation of CYP1A2 in human hepatocyte using phenacetin as substrate preincubated for 5 days followed by substrate addition and measured after 1 hr...More data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibition of hERG cardiac ion channelMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataEC50: >3.00E+4nMAssay Description:Positive allosteric modulator activity at rat M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as maximal response to ACh by calcium mo...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))TBA
LigandPNGBDBM50451549(CHEMBL4207737)
Affinity DataEC50:  80nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed