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BDBM81049 2-(4-ethylphenoxy)-N'-[(1E)-(2-morpholin-4-yl-5-nitrophenyl)methylene]acetohydrazide::2-(4-ethylphenoxy)-N-[(2-morpholin-4-yl-5-nitro-phenyl)methylideneamino]ethanamide::2-(4-ethylphenoxy)-N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide::2-(4-ethylphenoxy)-N-[(2-morpholino-5-nitro-benzylidene)amino]acetamide::2-(4-ethylphenoxy)-N-[[2-(4-morpholinyl)-5-nitrophenyl]methylideneamino]acetamide::MLS000585779::SMR000204342::cid_3626272

SMILES: CCc1ccc(OCC(=O)N[N-][CH+]c2cc(ccc2N2CCOCC2)[N+]([O-])=O)cc1

InChI Key: InChIKey=BHSUYXJASJNFAC-UHFFFAOYSA-N

Data: 4 IC50

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 = 81049   
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 dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM81049
PNG
(2-(4-ethylphenoxy)-N'-[(1E)-(2-morpholin-4-yl-...)
Show SMILES CCc1ccc(OCC(=O)N[N-][CH+]c2cc(ccc2N2CCOCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H24N4O5/c1-2-16-3-6-19(7-4-16)30-15-21(26)23-22-14-17-13-18(25(27)28)5-8-20(17)24-9-11-29-12-10-24/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
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)
BDBM81049
PNG
(2-(4-ethylphenoxy)-N'-[(1E)-(2-morpholin-4-yl-...)
Show SMILES CCc1ccc(OCC(=O)N[N-][CH+]c2cc(ccc2N2CCOCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H24N4O5/c1-2-16-3-6-19(7-4-16)30-15-21(26)23-22-14-17-13-18(25(27)28)5-8-20(17)24-9-11-29-12-10-24/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,26)
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81049
PNG
(2-(4-ethylphenoxy)-N'-[(1E)-(2-morpholin-4-yl-...)
Show SMILES CCc1ccc(OCC(=O)N[N-][CH+]c2cc(ccc2N2CCOCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H24N4O5/c1-2-16-3-6-19(7-4-16)30-15-21(26)23-22-14-17-13-18(25(27)28)5-8-20(17)24-9-11-29-12-10-24/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,26)
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1016/j.bioorg.2015.06.006
BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81049
PNG
(2-(4-ethylphenoxy)-N'-[(1E)-(2-morpholin-4-yl-...)
Show SMILES CCc1ccc(OCC(=O)N[N-][CH+]c2cc(ccc2N2CCOCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H24N4O5/c1-2-16-3-6-19(7-4-16)30-15-21(26)23-22-14-17-13-18(25(27)28)5-8-20(17)24-9-11-29-12-10-24/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,26)
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.30E+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