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BDBM50085047 2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester::2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester::CHEMBL565::Clofibrate::EPIB::ETHYL CLOFIBRATE::Ethyl 2-(p-chlorophenoxy)isobutyrate::Ethyl chlorophenoxyisobutyrate::Liprin::alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester::alpha-p-Chlorophenoxyisobutyryl ethyl ester::ethyl 2-(4-chlorophenoxy)-2-methylpropanoate

SMILES: CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1

InChI Key: InChIKey=KNHUKKLJHYUCFP-UHFFFAOYSA-N

Data: 2 KI  8 IC50  8 Kd  6 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50085047   
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
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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6.92E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by co...


J Med Chem 51: 3755-64 (2008)


Article DOI: 10.1021/jm701192w
BindingDB Entry DOI: 10.7270/Q2KH0P7G
More data for this
Ligand-Target Pair
Organic anion-transporting polypeptide 1D1 (Oatp1d1)


(Danio rerio (Zebrafish))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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3.45E+5n/an/an/an/an/an/an/an/a



Rudjer Boskovic Institute



Assay Description
In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...


J Biol Chem 288: 33894-911 (2013)


Article DOI: 10.1074/jbc.M113.518506
BindingDB Entry DOI: 10.7270/Q29Z93RK
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/a 8.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-coA reductase in CD rat liver microsomal-cytosol fraction assessed as inhibition of nonsaponifiable lipid synthesis using [2-14C]ac...


J Med Chem 20: 1705-8 (1978)


BindingDB Entry DOI: 10.7270/Q2GH9KGV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/an/a 5.50E+4n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for Human PPAR alpha receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/an/a 5.00E+5n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/an/a 5.00E+4n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR alpha receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
PDB
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n/an/an/an/a 5.00E+5n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for Human PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/an/a 5.50E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration against human peroxisome proliferator activated receptor alpha in Gal4 transactivation assay


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 6.00E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 6.70E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 10 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 7.30E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 15 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 7.80E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 20 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 8.90E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 25 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 9.60E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 30 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 1.10E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 37 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/a 1.20E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 42 deg C by fluorimetric assay


J Med Chem 52: 5344-55 (2009)


Article DOI: 10.1021/jm801349e
BindingDB Entry DOI: 10.7270/Q2P84BXB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/an/a 5.50E+4n/an/an/an/a



Universit£ Lille-Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


J Med Chem 55: 4027-61 (2012)


Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/a 7.10E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay 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 ...


Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay 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...


Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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KEGG
PC cid
PC sid
UniChem

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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 6.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-coA reductase in CD rat liver microsomal-cytosol fraction assessed as inhibition of total lipid synthesis using [2-14C]acetate as s...


J Med Chem 20: 1705-8 (1978)


BindingDB Entry DOI: 10.7270/Q2GH9KGV
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
UniProtKB/SwissProt

antibodypedia
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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay 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...


Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 4.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-coA reductase in CD rat liver microsomal-cytosol fraction assessed as inhibition of fatty acid synthesis using [2-14C]acetate as su...


J Med Chem 20: 1705-8 (1978)


BindingDB Entry DOI: 10.7270/Q2GH9KGV
More data for this
Ligand-Target Pair