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12 similar compounds to monomer 69506

Compile data set for download or QSAR
Wt: 391.4
BDBM43863
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Wt: 362.3
BDBM58072
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Wt: 361.3
BDBM63808
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Wt: 376.4
BDBM69409
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Wt: 290.2
BDBM69801
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Wt: 346.3
BDBM69462
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Wt: 316.3
BDBM69753
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Wt: 348.3
BDBM69432
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Wt: 378.3
BDBM69437
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Wt: 332.3
BDBM69438
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Wt: 320.3
BDBM69532
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Wt: 366.3
BDBM69797
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 43863,58072,63808,69409,69801,69462,69753,69432,69437,69438,69532,69797   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oligosaccharyl transferase (OT)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM43863
PNG
(3-[[4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrim...)
Show SMILES COc1ccc(OC)c(Nc2nc(NCCCN(C)C)nc(N)c2[N+]([O-])=O)c1
Show InChI InChI=1S/C17H25N7O4/c1-23(2)9-5-8-19-17-21-15(18)14(24(25)26)16(22-17)20-12-10-11(27-3)6-7-13(12)28-4/h6-7,10H,5,8-9H2,1-4H3,(H4,18,19,20,21,22)
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Article
PubMed
1.10E+3 -7.44n/an/an/an/an/a7.50



Massachusetts Institute of Technology



Assay Description
Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...


Chem Biol 9: 1323-8 (2002)


Article DOI: 10.1016/S1074-5521(02)00281-8
BindingDB Entry DOI: 10.7270/Q2736P9D
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58072
PNG
(2-N-butan-2-yl-4-N-(2,5-dimethoxyphenyl)-5-nitropy...)
Show SMILES CCC(C)Nc1nc(N)c(c(Nc2cc(OC)ccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C16H22N6O4/c1-5-9(2)18-16-20-14(17)13(22(23)24)15(21-16)19-11-8-10(25-3)6-7-12(11)26-4/h6-9H,5H2,1-4H3,(H4,17,18,19,20,21)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM63808
PNG
(2-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl...)
Show SMILES COc1ccccc1Nc1nc(NCCCN(C)C)nc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C16H23N7O3/c1-22(2)10-6-9-18-16-20-14(17)13(23(24)25)15(21-16)19-11-7-4-5-8-12(11)26-3/h4-5,7-8H,6,9-10H2,1-3H3,(H4,17,18,19,20,21)
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n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69409
PNG
(4-N-(2,5-dimethoxyphenyl)-2-N-(3-methylbutyl)-5-ni...)
Show SMILES COc1ccc(OC)c(Nc2nc(NCCC(C)C)nc(N)c2[N+]([O-])=O)c1
Show InChI InChI=1S/C17H24N6O4/c1-10(2)7-8-19-17-21-15(18)14(23(24)25)16(22-17)20-12-9-11(26-3)5-6-13(12)27-4/h5-6,9-10H,7-8H2,1-4H3,(H4,18,19,20,21,22)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69432
PNG
(4-N-(2-methoxyphenyl)-2-N-(3-methoxypropyl)-5-nitr...)
Show SMILES COCCCNc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C15H20N6O4/c1-24-9-5-8-17-15-19-13(16)12(21(22)23)14(20-15)18-10-6-3-4-7-11(10)25-2/h3-4,6-7H,5,8-9H2,1-2H3,(H4,16,17,18,19,20)
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n/an/an/an/a 231n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69437
PNG
(4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)-5-...)
Show SMILES COCCCNc1nc(N)c(c(Nc2cc(OC)ccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C16H22N6O5/c1-25-8-4-7-18-16-20-14(17)13(22(23)24)15(21-16)19-11-9-10(26-2)5-6-12(11)27-3/h5-6,9H,4,7-8H2,1-3H3,(H4,17,18,19,20,21)
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n/an/an/an/a 742n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69438
PNG
(4-N-(2-methoxyphenyl)-2-N-(2-methylpropyl)-5-nitro...)
Show SMILES COc1ccccc1Nc1nc(NCC(C)C)nc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C15H20N6O3/c1-9(2)8-17-15-19-13(16)12(21(22)23)14(20-15)18-10-6-4-5-7-11(10)24-3/h4-7,9H,8H2,1-3H3,(H4,16,17,18,19,20)
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n/an/an/an/a 888n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM58072
PNG
(2-N-butan-2-yl-4-N-(2,5-dimethoxyphenyl)-5-nitropy...)
Show SMILES CCC(C)Nc1nc(N)c(c(Nc2cc(OC)ccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C16H22N6O4/c1-5-9(2)18-16-20-14(17)13(22(23)24)15(21-16)19-11-8-10(25-3)6-7-12(11)26-4/h6-9H,5H2,1-4H3,(H4,17,18,19,20,21)
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n/an/an/an/a 539n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM43863
PNG
(3-[[4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrim...)
Show SMILES COc1ccc(OC)c(Nc2nc(NCCCN(C)C)nc(N)c2[N+]([O-])=O)c1
Show InChI InChI=1S/C17H25N7O4/c1-23(2)9-5-8-19-17-21-15(18)14(24(25)26)16(22-17)20-12-10-11(27-3)6-7-13(12)28-4/h6-7,10H,5,8-9H2,1-4H3,(H4,18,19,20,21,22)
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n/an/an/an/a 2.74E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM63808
PNG
(2-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl...)
Show SMILES COc1ccccc1Nc1nc(NCCCN(C)C)nc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C16H23N7O3/c1-22(2)10-6-9-18-16-20-14(17)13(23(24)25)15(21-16)19-11-7-4-5-8-12(11)26-3/h4-5,7-8H,6,9-10H2,1-3H3,(H4,17,18,19,20,21)
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n/an/an/an/a 2.13E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69462
PNG
(4-N-(2-methoxyphenyl)-2-N-(3-methylbutyl)-5-nitrop...)
Show SMILES COc1ccccc1Nc1nc(NCCC(C)C)nc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C16H22N6O3/c1-10(2)8-9-18-16-20-14(17)13(22(23)24)15(21-16)19-11-6-4-5-7-12(11)25-3/h4-7,10H,8-9H2,1-3H3,(H4,17,18,19,20,21)
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n/an/an/an/a 584n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69532
PNG
(2-[4-Amino-6-(2-methoxy-phenylamino)-5-nitro-pyrim...)
Show SMILES COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C13H16N6O4/c1-23-9-5-3-2-4-8(9)16-12-10(19(21)22)11(14)17-13(18-12)15-6-7-20/h2-5,20H,6-7H2,1H3,(H4,14,15,16,17,18)
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n/an/an/an/a 8.76E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69753
PNG
(4-N-(2-methoxyphenyl)-5-nitro-2-N-prop-2-enylpyrim...)
Show SMILES COc1ccccc1Nc1nc(NCC=C)nc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C14H16N6O3/c1-3-8-16-14-18-12(15)11(20(21)22)13(19-14)17-9-6-4-5-7-10(9)23-2/h3-7H,1,8H2,2H3,(H4,15,16,17,18,19)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69797
PNG
(4-N-(2-methoxyphenyl)-2-N-methyl-5-nitro-2-N-pheny...)
Show SMILES COc1ccccc1Nc1nc(nc(N)c1[N+]([O-])=O)N(C)c1ccccc1
Show InChI InChI=1S/C18H18N6O3/c1-23(12-8-4-3-5-9-12)18-21-16(19)15(24(25)26)17(22-18)20-13-10-6-7-11-14(13)27-2/h3-11H,1-2H3,(H3,19,20,21,22)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69801
PNG
(4-N-(2-methoxyphenyl)-2-N-methyl-5-nitropyrimidine...)
Show SMILES CNc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C12H14N6O3/c1-14-12-16-10(13)9(18(19)20)11(17-12)15-7-5-3-4-6-8(7)21-2/h3-6H,1-2H3,(H4,13,14,15,16,17)
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n/an/an/an/a 3.44E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM69532
PNG
(2-[4-Amino-6-(2-methoxy-phenylamino)-5-nitro-pyrim...)
Show SMILES COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C13H16N6O4/c1-23-9-5-3-2-4-8(9)16-12-10(19(21)22)11(14)17-13(18-12)15-6-7-20/h2-5,20H,6-7H2,1H3,(H4,14,15,16,17,18)
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n/an/an/an/a 1.78E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q23XQJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM69532
PNG
(2-[4-Amino-6-(2-methoxy-phenylamino)-5-nitro-pyrim...)
Show SMILES COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C13H16N6O4/c1-23-9-5-3-2-4-8(9)16-12-10(19(21)22)11(14)17-13(18-12)15-6-7-20/h2-5,20H,6-7H2,1H3,(H4,14,15,16,17,18)
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n/an/an/an/a 1.20E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM58072
PNG
(2-N-butan-2-yl-4-N-(2,5-dimethoxyphenyl)-5-nitropy...)
Show SMILES CCC(C)Nc1nc(N)c(c(Nc2cc(OC)ccc2OC)n1)[N+]([O-])=O
Show InChI InChI=1S/C16H22N6O4/c1-5-9(2)18-16-20-14(17)13(22(23)24)15(21-16)19-11-8-10(25-3)6-7-12(11)26-4/h6-9H,5H2,1-4H3,(H4,17,18,19,20,21)
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n/an/an/an/a 3.73E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2057DDB
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM43863
PNG
(3-[[4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrim...)
Show SMILES COc1ccc(OC)c(Nc2nc(NCCCN(C)C)nc(N)c2[N+]([O-])=O)c1
Show InChI InChI=1S/C17H25N7O4/c1-23(2)9-5-8-19-17-21-15(18)14(24(25)26)16(22-17)20-12-10-11(27-3)6-7-13(12)28-4/h6-7,10H,5,8-9H2,1-4H3,(H4,18,19,20,21,22)
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PCBioAssay
n/an/a 5.30E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QN6558
More data for this
Ligand-Target Pair