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1 similar compounds to monomer 51886

Wt: 485.5
BDBM51875

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 51875   
Target
(Institution)
LigandTarget
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
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51875
PNG
(2-amino-4-[4-(4-carbomethoxybenzyl)oxyphenyl]-6-ph...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1
Show InChI InChI=1S/C28H27N3O5/c1-3-35-27(33)23-24(19-7-5-4-6-8-19)30-28(29)31-25(23)20-13-15-22(16-14-20)36-17-18-9-11-21(12-10-18)26(32)34-2/h4-16,23,25H,3,17H2,1-2H3,(H2,29,31)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51875
PNG
(2-amino-4-[4-(4-carbomethoxybenzyl)oxyphenyl]-6-ph...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1
Show InChI InChI=1S/C28H27N3O5/c1-3-35-27(33)23-24(19-7-5-4-6-8-19)30-28(29)31-25(23)20-13-15-22(16-14-20)36-17-18-9-11-21(12-10-18)26(32)34-2/h4-16,23,25H,3,17H2,1-2H3,(H2,29,31)
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n/an/an/an/a 2.38E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM51875
PNG
(2-amino-4-[4-(4-carbomethoxybenzyl)oxyphenyl]-6-ph...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1
Show InChI InChI=1S/C28H27N3O5/c1-3-35-27(33)23-24(19-7-5-4-6-8-19)30-28(29)31-25(23)20-13-15-22(16-14-20)36-17-18-9-11-21(12-10-18)26(32)34-2/h4-16,23,25H,3,17H2,1-2H3,(H2,29,31)
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n/an/a 6.96E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM51875
PNG
(2-amino-4-[4-(4-carbomethoxybenzyl)oxyphenyl]-6-ph...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1
Show InChI InChI=1S/C28H27N3O5/c1-3-35-27(33)23-24(19-7-5-4-6-8-19)30-28(29)31-25(23)20-13-15-22(16-14-20)36-17-18-9-11-21(12-10-18)26(32)34-2/h4-16,23,25H,3,17H2,1-2H3,(H2,29,31)
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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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM51875
PNG
(2-amino-4-[4-(4-carbomethoxybenzyl)oxyphenyl]-6-ph...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1
Show InChI InChI=1S/C28H27N3O5/c1-3-35-27(33)23-24(19-7-5-4-6-8-19)30-28(29)31-25(23)20-13-15-22(16-14-20)36-17-18-9-11-21(12-10-18)26(32)34-2/h4-16,23,25H,3,17H2,1-2H3,(H2,29,31)
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n/an/a 1.60E+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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM51875
PNG
(2-amino-4-[4-(4-carbomethoxybenzyl)oxyphenyl]-6-ph...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1
Show InChI InChI=1S/C28H27N3O5/c1-3-35-27(33)23-24(19-7-5-4-6-8-19)30-28(29)31-25(23)20-13-15-22(16-14-20)36-17-18-9-11-21(12-10-18)26(32)34-2/h4-16,23,25H,3,17H2,1-2H3,(H2,29,31)
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n/an/a 2.68E+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 (SBIMR, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51875
PNG
(2-amino-4-[4-(4-carbomethoxybenzyl)oxyphenyl]-6-ph...)
Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1
Show InChI InChI=1S/C28H27N3O5/c1-3-35-27(33)23-24(19-7-5-4-6-8-19)30-28(29)31-25(23)20-13-15-22(16-14-20)36-17-18-9-11-21(12-10-18)26(32)34-2/h4-16,23,25H,3,17H2,1-2H3,(H2,29,31)
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n/an/a>2.00E+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)

More data for this
Ligand-Target Pair