null

SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O

InChI Key InChIKey=VHVPQPYKVGDNFY-UHFFFAOYSA-N

PDB links: 11 PDB IDs match this monomer.

  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 12 hits for monomerid = 50011478   

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CF9RNJPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7CC3PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in nifedipine oxidation incubated for 10 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HD7XM9PubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 1.80E+4nMAssay Description:Binding affinity towards nicotinic acetylcholine receptor (nACh) using [3H](-)-nicotine as radioligand in rat brainMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20JNPubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))TBA
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 85nMAssay Description:In vitro inhibition of Lanosterol 14-alpha demethylase (Candida albicans CY1005)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RF5XRV
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 40nMAssay Description:Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GM8BMDPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:Inhibition of CYP3A4 in human liver microsome using Nifedipine as a substrate incubated for 10 mins in the presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H135V1PubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)copy SMILEScopy InChI
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed