BDBM50011478 ITRAZOLE

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

InChI Key InChIKey=VHVPQPYKVGDNFY-UHFFFAOYSA-N

Data  12 IC50

PDB links: 11 PDB IDs match this monomer.

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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)
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 ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)
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 ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)
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 ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)
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 ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)
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 ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells membrane vesicles assessed inhibition of BCRP- mediated transport of 3[H]-E1S fo...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)
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 ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)
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 ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))TBA
LigandPNGBDBM50011478(ITRAZOLE)
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
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)
Affinity DataIC50:  40nMAssay Description:Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)
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 ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50011478(ITRAZOLE)
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 ArticlePubMed