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4 similar compounds to monomer 31772

Compile data set for download or QSAR
Wt: 416.1
BDBM31771
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Wt: 381.6
BDBM31773
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Wt: 416.1
BDBM50139808
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Wt: 416.1
BDBM50139811
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 31771,31773,50139808,50139811   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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325n/an/an/an/an/an/an/an/a



Accelrys

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 17A1 activity


J Med Chem 46: 2345-51 (2003)


Article DOI: 10.1021/jm020576u
BindingDB Entry DOI: 10.7270/Q2WD41B7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50139811
PNG
(1-[(R)-2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-...)
Show SMILES Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50139808
PNG
(1-[(S)-2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-...)
Show SMILES Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
Heme Oxygenase 2 (HO-2)


(Rattus norvegicus (rat))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 4.90E+4n/an/an/an/a7.437



Queen's University



Assay 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...


J Pharmacol Exp Ther 319: 277-84 (2006)


Article DOI: 10.1124/jpet.106.102699
BindingDB Entry DOI: 10.7270/Q2HH6HD9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 5.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/an/a 1.75E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM31771
PNG
(Isoconazole | cid_3760)
Show SMILES Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/an/a 1.02E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Cytochrome P450 144 (CYP144)


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 780n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay 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...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 1.17E+4n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay 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...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 4.60E+3n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay 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...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Cytochrome P450 130


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 1.93E+3n/an/an/an/an/a



University of California, San Francisco



Assay Description
Binding assay using CYP130, CYP130 (G234) or CYP142.


J Biol Chem 284: 25211-9 (2009)


Article DOI: 10.1074/jbc.M109.017632
BindingDB Entry DOI: 10.7270/Q2RR1WVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 130 (G243A)


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 4.50E+3n/an/an/an/an/a



University of California, San Francisco



Assay Description
Binding assay using CYP130, CYP130 (G234) or CYP142.


J Biol Chem 284: 25211-9 (2009)


Article DOI: 10.1074/jbc.M109.017632
BindingDB Entry DOI: 10.7270/Q2RR1WVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 330n/an/an/an/an/a



University of California, San Francisco



Assay Description
Binding assay using CYP130, CYP130 (G234) or CYP142.


J Biol Chem 284: 25211-9 (2009)


Article DOI: 10.1074/jbc.M109.017632
BindingDB Entry DOI: 10.7270/Q2RR1WVC
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM31771
PNG
(Isoconazole | cid_3760)
Show SMILES Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2
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n/an/a 2.30E+4n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair
Cytochrome P450 121


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 73n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay


J Med Chem 59: 3272-302 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00007
BindingDB Entry DOI: 10.7270/Q2MS3VN4
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 431n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Eur J Med Chem 44: 2913-22 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.004
BindingDB Entry DOI: 10.7270/Q2NC6174
More data for this
Ligand-Target Pair
Cytochrome P450 51(CYP51)


(Mycobacterium tuberculosis)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/a 200n/an/an/an/an/a



Swansea University

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis CYP51


Antimicrob Agents Chemother 53: 1157-64 (2009)


Article DOI: 10.1128/AAC.01237-08
BindingDB Entry DOI: 10.7270/Q22V2GCB
More data for this
Ligand-Target Pair
Malate dehydrogenase cytoplasmic


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 2.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of malate dehydrogenase (MDH)


J Med Chem 46: 4477-86 (2003)


Article DOI: 10.1021/jm030191r
BindingDB Entry DOI: 10.7270/Q2X34Z5C
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 1.50E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Chymotrypsinogen


J Med Chem 46: 4477-86 (2003)


Article DOI: 10.1021/jm030191r
BindingDB Entry DOI: 10.7270/Q2X34Z5C
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 2.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of beta-lactamase


J Med Chem 46: 4477-86 (2003)


Article DOI: 10.1021/jm030191r
BindingDB Entry DOI: 10.7270/Q2X34Z5C
More data for this
Ligand-Target Pair
Sterol 14α-demethylase (CYP51)


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 50n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay


Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...


Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 1.12E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...


Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 1.70E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay 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...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
BindingDB Entry DOI: 10.7270/Q2HT2R9F
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 9.40E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay 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...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
BindingDB Entry DOI: 10.7270/Q2HT2R9F
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 1.34E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...


Hepatology 60: 1015-22 (2014)

More data for this
Ligand-Target Pair
Heme Oxygenase 2 (HO-2)


(Rattus norvegicus (rat))
BDBM31771
PNG
(Isoconazole | cid_3760)
Show SMILES Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2
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n/an/a 3.26E+4n/an/an/an/a7.437



Queen's University



Assay 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...


J Pharmacol Exp Ther 319: 277-84 (2006)


Article DOI: 10.1124/jpet.106.102699
BindingDB Entry DOI: 10.7270/Q2HH6HD9
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a<1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)

More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31771
PNG
(Isoconazole | cid_3760)
Show SMILES Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2
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n/an/a 5.60E+3n/an/an/an/a7.437



Queen's University



Assay 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...


J Pharmacol Exp Ther 319: 277-84 (2006)


Article DOI: 10.1124/jpet.106.102699
BindingDB Entry DOI: 10.7270/Q2HH6HD9
More data for this
Ligand-Target Pair
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 1.60E+4n/an/an/an/a7.437



Queen's University



Assay 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...


J Pharmacol Exp Ther 319: 277-84 (2006)


Article DOI: 10.1124/jpet.106.102699
BindingDB Entry DOI: 10.7270/Q2HH6HD9
More data for this
Ligand-Target Pair