null

SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(nc3)C(F)(F)F)c(N)c2c1C

InChI Key InChIKey=BPAKJFLUBIRQKF-UHFFFAOYSA-N

  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 7 hits for monomerid = 50253091   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253091(CHEMBL4083081)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253091(CHEMBL4083081)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253091(CHEMBL4083081)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253091(CHEMBL4083081)copy SMILEScopy InChI
Affinity DataEC50:  76nMAssay Description:Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253091(CHEMBL4083081)copy SMILEScopy InChI
Affinity DataEC50:  76nMAssay Description:Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253091(CHEMBL4083081)copy SMILEScopy InChI
Affinity DataEC50:  960nMAssay Description:Activity at human M2 receptor assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253091(CHEMBL4083081)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed