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2 similar compounds to monomer 88869

Compile data set for download or QSAR
Wt: 479.4
BDBM32829
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Wt: 447.4
BDBM43403

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 32829,43403   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM32829
PNG
(2-N',4-N'-bis[(E)-(5-methoxy-6-oxocyclohexa-2,4-di...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3O)c2C)c1O
Show InChI InChI=1S/C24H25N5O6/c1-13-19(23(32)28-25-11-15-7-5-9-17(34-3)21(15)30)14(2)27-20(13)24(33)29-26-12-16-8-6-10-18(35-4)22(16)31/h5-12,27,30-31H,1-4H3,(H,28,32)(H,29,33)
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43403
PNG
(2-N,4-N-bis[(3-methoxyphenyl)methylideneamino]-3,5...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3)c2C)c1
Show InChI InChI=1S/C24H25N5O4/c1-15-21(23(30)28-25-13-17-7-5-9-19(11-17)32-3)16(2)27-22(15)24(31)29-26-14-18-8-6-10-20(12-18)33-4/h5-14,27H,1-4H3,(H,28,30)(H,29,31)
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n/an/an/an/a 6.15E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM32829
PNG
(2-N',4-N'-bis[(E)-(5-methoxy-6-oxocyclohexa-2,4-di...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3O)c2C)c1O
Show InChI InChI=1S/C24H25N5O6/c1-13-19(23(32)28-25-11-15-7-5-9-17(34-3)21(15)30)14(2)27-20(13)24(33)29-26-12-16-8-6-10-18(35-4)22(16)31/h5-12,27,30-31H,1-4H3,(H,28,32)(H,29,33)
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n/an/a 9.88E+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 (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM32829
PNG
(2-N',4-N'-bis[(E)-(5-methoxy-6-oxocyclohexa-2,4-di...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3O)c2C)c1O
Show InChI InChI=1S/C24H25N5O6/c1-13-19(23(32)28-25-11-15-7-5-9-17(34-3)21(15)30)14(2)27-20(13)24(33)29-26-12-16-8-6-10-18(35-4)22(16)31/h5-12,27,30-31H,1-4H3,(H,28,32)(H,29,33)
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n/an/a>1.19E+5n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM32829
PNG
(2-N',4-N'-bis[(E)-(5-methoxy-6-oxocyclohexa-2,4-di...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3O)c2C)c1O
Show InChI InChI=1S/C24H25N5O6/c1-13-19(23(32)28-25-11-15-7-5-9-17(34-3)21(15)30)14(2)27-20(13)24(33)29-26-12-16-8-6-10-18(35-4)22(16)31/h5-12,27,30-31H,1-4H3,(H,28,32)(H,29,33)
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n/an/a 7.03E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM32829
PNG
(2-N',4-N'-bis[(E)-(5-methoxy-6-oxocyclohexa-2,4-di...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3O)c2C)c1O
Show InChI InChI=1S/C24H25N5O6/c1-13-19(23(32)28-25-11-15-7-5-9-17(34-3)21(15)30)14(2)27-20(13)24(33)29-26-12-16-8-6-10-18(35-4)22(16)31/h5-12,27,30-31H,1-4H3,(H,28,32)(H,29,33)
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n/an/a 6.66E+3n/an/an/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 (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair