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BDBM61271 MLS000040467::N-[3-[4-methyl-5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide::N-[3-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide::N-[3-[4-methyl-5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]phenyl]benzamide::N-[3-[5-[(2-keto-2-morpholino-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide::SMR000045221::cid_664335

SMILES: Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1

InChI Key: InChIKey=JFKPYUBHTOUKDP-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 = 61271   
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
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM61271
PNG
(MLS000040467 | N-[3-[4-methyl-5-(2-morpholin-4-yl-...)
Show SMILES Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H23N5O3S/c1-26-20(24-25-22(26)31-15-19(28)27-10-12-30-13-11-27)17-8-5-9-18(14-17)23-21(29)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,23,29)
PDB
MMDB

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PCBioAssay
n/an/a 2.81E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZC819K
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM61271
PNG
(MLS000040467 | N-[3-[4-methyl-5-(2-morpholin-4-yl-...)
Show SMILES Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H23N5O3S/c1-26-20(24-25-22(26)31-15-19(28)27-10-12-30-13-11-27)17-8-5-9-18(14-17)23-21(29)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,23,29)
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n/an/a 2.62E+3n/an/an/an/an/a25



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, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM61271
PNG
(MLS000040467 | N-[3-[4-methyl-5-(2-morpholin-4-yl-...)
Show SMILES Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H23N5O3S/c1-26-20(24-25-22(26)31-15-19(28)27-10-12-30-13-11-27)17-8-5-9-18(14-17)23-21(29)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,23,29)
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n/an/a 3.37E+3n/an/an/an/an/a25



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, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4H


(Homo sapiens (Human))
BDBM61271
PNG
(MLS000040467 | N-[3-[4-methyl-5-(2-morpholin-4-yl-...)
Show SMILES Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H23N5O3S/c1-26-20(24-25-22(26)31-15-19(28)27-10-12-30-13-11-27)17-8-5-9-18(14-17)23-21(29)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,23,29)
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n/an/a 1.00E+5n/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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q26W98HW
More data for this
Ligand-Target Pair