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3 similar compounds to monomer 50004424

Compile data set for download or QSAR
Wt: 287.2
BDBM50004432
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Wt: 301.2
BDBM50004426
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Wt: 411.4
BDBM50278371
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50004432,50004426,50278371   
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004426
PNG
(CHEMBL3238465)
Show SMILES Cc1cccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C14H11N3O5/c1-9-3-2-4-11(5-9)15-14(18)10-6-12(16(19)20)8-13(7-10)17(21)22/h2-8H,1H3,(H,15,18)
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004432
PNG
(CHEMBL3238464)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H9N3O5/c17-13(14-10-4-2-1-3-5-10)9-6-11(15(18)19)8-12(7-9)16(20)21/h1-8H,(H,14,17)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278371
PNG
(CHEMBL471442 | N-(naphthalen-1-yl)-3-(3-nitrobenza...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H17N3O4/c28-23(18-9-4-11-20(15-18)27(30)31)25-19-10-3-8-17(14-19)24(29)26-22-13-5-7-16-6-1-2-12-21(16)22/h1-15H,(H,25,28)(H,26,29)
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n/an/a 2.25E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.034
BindingDB Entry DOI: 10.7270/Q2ST7PQC
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004432
PNG
(CHEMBL3238464)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H9N3O5/c17-13(14-10-4-2-1-3-5-10)9-6-11(15(18)19)8-12(7-9)16(20)21/h1-8H,(H,14,17)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004426
PNG
(CHEMBL3238465)
Show SMILES Cc1cccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C14H11N3O5/c1-9-3-2-4-11(5-9)15-14(18)10-6-12(16(19)20)8-13(7-10)17(21)22/h2-8H,1H3,(H,15,18)
PDB
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PC cid
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair