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SMILES C1CN(CCO1)C1CCN(CC1)c1cc(nc(n1)-c1ccncc1)-c1cccnc1

InChI Key InChIKey=AGASIYCHLOAQQU-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 5 hits for monomerid = 50536191   

TargetCytochrome P450 2D6(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM50536191(CHEMBL4584780)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Inhibition of human CYP2D6 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using 7-methoxy-4-(a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41VZXPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM50536191(CHEMBL4584780)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibition of human CYP3A4 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Diethoxyfluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41VZXPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM50536191(CHEMBL4584780)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human CYP2C9 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using 7-methoxy-4-(t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41VZXPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM50536191(CHEMBL4584780)copy SMILEScopy InChI
Affinity DataIC50: 9.30E+4nMAssay Description:Inhibition of human CYP1A2 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Ethoxyresorufi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41VZXPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM50536191(CHEMBL4584780)copy SMILEScopy InChI
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibition of human CYP2C19 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using 3-Cyano-7-Eth...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41VZXPubMed