null

SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c2c1C

InChI Key InChIKey=KWYCAGNWNMBWOL-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 8 hits for monomerid = 50253092   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253092(CHEMBL4062319)copy SMILEScopy InChI
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
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
LigandPNGBDBM50253092(CHEMBL4062319)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
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
LigandPNGBDBM50253092(CHEMBL4062319)copy SMILEScopy InChI
Affinity DataEC50:  19nMAssay 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
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
LigandPNGBDBM50253092(CHEMBL4062319)copy SMILEScopy InChI
Affinity DataEC50:  19nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253092(CHEMBL4062319)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
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
LigandPNGBDBM50253092(CHEMBL4062319)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253092(CHEMBL4062319)copy SMILEScopy InChI
Affinity DataIC50: 450nMAssay Description:Displacement of [3H]BTCP from human recombinant dopamine transporter expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA.

Curated by ChEMBL
LigandPNGBDBM50253092(CHEMBL4062319)copy SMILEScopy InChI
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3W6QPubMed