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SMILES: CCC(C)c1ccccc1OCCn1ccnc1

InChI Key: InChIKey=YVGPTGWMFKMECR-UHFFFAOYSA-N

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 4 hits for monomerid = 81069   
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
Glucose-6-phosphate 1-dehydrogenase


(Homo sapiens (Human))
BDBM81069
PNG
(1-[2-(2-butan-2-ylphenoxy)ethyl]imidazole;ethanedi...)
Show SMILES CCC(C)c1ccccc1OCCn1ccnc1
Show InChI InChI=1S/C15H20N2O/c1-3-13(2)14-6-4-5-7-15(14)18-11-10-17-9-8-16-12-17/h4-9,12-13H,3,10-11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/a>8.00E+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/Q2V12389
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81069
PNG
(1-[2-(2-butan-2-ylphenoxy)ethyl]imidazole;ethanedi...)
Show SMILES CCC(C)c1ccccc1OCCn1ccnc1
Show InChI InChI=1S/C15H20N2O/c1-3-13(2)14-6-4-5-7-15(14)18-11-10-17-9-8-16-12-17/h4-9,12-13H,3,10-11H2,1-2H3
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n/an/a>8.00E+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/Q23T9FQ1
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81069
PNG
(1-[2-(2-butan-2-ylphenoxy)ethyl]imidazole;ethanedi...)
Show SMILES CCC(C)c1ccccc1OCCn1ccnc1
Show InChI InChI=1S/C15H20N2O/c1-3-13(2)14-6-4-5-7-15(14)18-11-10-17-9-8-16-12-17/h4-9,12-13H,3,10-11H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
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PC cid
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UniChem

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PCBioAssay
n/an/a>8.00E+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/Q27H1H3W
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81069
PNG
(1-[2-(2-butan-2-ylphenoxy)ethyl]imidazole;ethanedi...)
Show SMILES CCC(C)c1ccccc1OCCn1ccnc1
Show InChI InChI=1S/C15H20N2O/c1-3-13(2)14-6-4-5-7-15(14)18-11-10-17-9-8-16-12-17/h4-9,12-13H,3,10-11H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 3.39E+3n/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/Q2ZS2TZG
More data for this
Ligand-Target Pair