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SMILES Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1

InChI Key InChIKey=GYNUQDKANQWZSX-UHFFFAOYSA-N

  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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50352421   

TargetSmoothened homolog(Homo sapiens (Human))
Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50352421(CHEMBL1823591)copy SMILEScopy InChI
Affinity DataIC50: 170nMAssay Description:Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MC90DSPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50352421(CHEMBL1823591)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MC90DSPubMed
TargetSmoothened homolog(Homo sapiens (Human))
Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50352421(CHEMBL1823591)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MC90DSPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50352421(CHEMBL1823591)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MC90DSPubMed
TargetTranscriptional regulator ERG(Homo sapiens (Human))
Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50352421(CHEMBL1823591)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MC90DSPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories Rome

Curated by ChEMBL
LigandPNGBDBM50352421(CHEMBL1823591)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MC90DSPubMed