BDBM31773 ECONAZOLE::Econazole nitrate::Gyno-pevaryl::Pevaryl::cid_68589

SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1

InChI Key InChIKey=LEZWWPYKPKIXLL-UHFFFAOYSA-N

Data  1 KI  21 IC50  8 Kd  2 EC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 31773   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Accelrys

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataKi:  325nMAssay Description:In vitro inhibition of human Cytochrome P450 17A1 activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily M member 2(Homo sapiens (Human))
Peking University

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR-activated current by whole cell patch clamp electrophysiologyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  5.15E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataEC50:  1.75E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataEC50:  1.02E+4nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCytochrome P450 144(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataKd:  780nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataKd:  1.17E+4nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataKd:  4.60E+3nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 130(Mycobacterium tuberculosis)
University Of California San Francisco

LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataKd:  1.93E+3nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 130(Mycobacterium tuberculosis)
University Of California San Francisco

LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataKd:  4.50E+3nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataKd:  330nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Swiss Institute Of Bioinformatics

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  8.10E+3nMAssay Description:Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycocyclosin synthase(Mycobacterium tuberculosis)
University Of Cambridge

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataKd:  73nMAssay Description:Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  431nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetLanosterol 14-alpha demethylase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Swansea University

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataKd:  200nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP51More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMalate dehydrogenase, cytoplasmic(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of malate dehydrogenase (MDH)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChymotrypsinogen A(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  1.50E+5nMAssay Description:Compound was tested for the inhibition of ChymotrypsinogenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  2.50E+4nMAssay Description:Compound was tested for the inhibition of beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Act

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  50nMAssay Description:Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assayMore data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 2(Mus musculus)
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  7.60E+3nMAssay Description:Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Mus musculus)
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  1.12E+4nMAssay Description:Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium release-activated calcium channel protein 1(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  1.70E+4nMAssay Description:Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium release-activated calcium channel protein 1(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  9.40E+4nMAssay Description:Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction of SERCA inhibition-induced ER release preincu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  1.34E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50: <1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  1.74E+4nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  2.23E+4nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Swiss Institute Of Bioinformatics

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant IDO1 using L-tryptophan as substrate after 30 mins by fluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  430nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHeme oxygenase 1(Rattus norvegicus (rat))
Queen'S University

LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  1.60E+4nMpH: 7.4 T: 2°CAssay Description:HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 2(Rattus norvegicus (rat))
Queen'S University

LigandPNGBDBM31773(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Affinity DataIC50:  4.90E+4nMpH: 7.4 T: 2°CAssay Description:HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed