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4 similar compounds to monomer 53611

Compile data set for download or QSAR
Wt: 394.4
BDBM60102
Wt: 394.4
BDBM60139
Wt: 380.4
BDBM80262
Wt: 394.4
BDBM80223

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 60102,60139,80262,80223   
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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60102
PNG
(1-(2-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3...)
Show SMILES CCOc1ccccc1-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C20H18N4O3S/c1-2-27-15-11-7-6-10-14(15)24-17(25)12-16(19(24)26)28-20-21-18(22-23-20)13-8-4-3-5-9-13/h3-12,25-26H,2H2,1H3,(H,21,22,23)
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n/an/a 8.97E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60139
PNG
(1-(4-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3...)
Show SMILES CCOc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C20H18N4O3S/c1-2-27-15-10-8-14(9-11-15)24-17(25)12-16(19(24)26)28-20-21-18(22-23-20)13-6-4-3-5-7-13/h3-12,25-26H,2H2,1H3,(H,21,22,23)
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n/an/a 1.11E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM60102
PNG
(1-(2-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3...)
Show SMILES CCOc1ccccc1-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C20H18N4O3S/c1-2-27-15-11-7-6-10-14(15)24-17(25)12-16(19(24)26)28-20-21-18(22-23-20)13-8-4-3-5-9-13/h3-12,25-26H,2H2,1H3,(H,21,22,23)
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n/an/a 1.06E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)


(Saccharomyces cerevisiae S288c)
BDBM60102
PNG
(1-(2-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3...)
Show SMILES CCOc1ccccc1-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C20H18N4O3S/c1-2-27-15-11-7-6-10-14(15)24-17(25)12-16(19(24)26)28-20-21-18(22-23-20)13-8-4-3-5-9-13/h3-12,25-26H,2H2,1H3,(H,21,22,23)
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n/an/a 4.10E+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/Q26D5RGW
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80262
PNG
(1-(4-Methoxy-phenyl)-3-(5-phenyl-4H-[1,2,4]triazol...)
Show SMILES COc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C19H16N4O3S/c1-26-14-9-7-13(8-10-14)23-16(24)11-15(18(23)25)27-19-20-17(21-22-19)12-5-3-2-4-6-12/h2-11,24-25H,1H3,(H,20,21,22)
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n/an/a>1.00E+5n/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/Q2CZ35ND
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80223
PNG
(1-(4-methoxyphenyl)-3-[[5-(4-methylphenyl)-1H-1,2,...)
Show SMILES COc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccc(C)cc2)c1O
Show InChI InChI=1S/C20H18N4O3S/c1-12-3-5-13(6-4-12)18-21-20(23-22-18)28-16-11-17(25)24(19(16)26)14-7-9-15(27-2)10-8-14/h3-11,25-26H,1-2H3,(H,21,22,23)
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n/an/a 2.12E+4n/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/Q2HQ3XD6
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM60139
PNG
(1-(4-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3...)
Show SMILES CCOc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C20H18N4O3S/c1-2-27-15-10-8-14(9-11-15)24-17(25)12-16(19(24)26)28-20-21-18(22-23-20)13-6-4-3-5-7-13/h3-12,25-26H,2H2,1H3,(H,21,22,23)
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n/an/a 1.40E+4n/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/Q2HQ3XD6
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80262
PNG
(1-(4-Methoxy-phenyl)-3-(5-phenyl-4H-[1,2,4]triazol...)
Show SMILES COc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C19H16N4O3S/c1-26-14-9-7-13(8-10-14)23-16(24)11-15(18(23)25)27-19-20-17(21-22-19)12-5-3-2-4-6-12/h2-11,24-25H,1H3,(H,20,21,22)
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n/an/a 1.49E+4n/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/Q2HQ3XD6
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM60139
PNG
(1-(4-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3...)
Show SMILES CCOc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C20H18N4O3S/c1-2-27-15-10-8-14(9-11-15)24-17(25)12-16(19(24)26)28-20-21-18(22-23-20)13-6-4-3-5-7-13/h3-12,25-26H,2H2,1H3,(H,21,22,23)
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n/an/a>1.00E+5n/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/Q2CZ35ND
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM60102
PNG
(1-(2-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3...)
Show SMILES CCOc1ccccc1-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C20H18N4O3S/c1-2-27-15-11-7-6-10-14(15)24-17(25)12-16(19(24)26)28-20-21-18(22-23-20)13-8-4-3-5-9-13/h3-12,25-26H,2H2,1H3,(H,21,22,23)
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n/an/a 9.92E+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/Q2HQ3XD6
More data for this
Ligand-Target Pair