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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'BiP isoform A' AND taxid = 3847   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BiP isoform A


(Glycine max)
BDBM50332789
PNG
(CHEMBL1630603 | N1,N1-Dimethyl-N3-(3-p-tolyl-1,2,4...)
Show SMILES CN(C)CCCNc1nc(no1)-c1ccc(C)cc1
Show InChI InChI=1S/C14H20N4O/c1-11-5-7-12(8-6-11)13-16-14(19-17-13)15-9-4-10-18(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,16,17)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM50332787
PNG
(3-(4-Chlorobenzyl)-N-cyclohexyl-1,2,4-oxadiazol-5-...)
Show SMILES Clc1ccc(Cc2noc(NC3CCCCC3)n2)cc1
Show InChI InChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)10-14-18-15(20-19-14)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,18,19)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM50332790
PNG
(CHEMBL1630608 | N-Cyclohexyl-N-[3-(4-nitrophenyl)-...)
Show SMILES CC(=O)N(C1CCCCC1)c1nc(no1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H18N4O4/c1-11(21)19(13-5-3-2-4-6-13)16-17-15(18-24-16)12-7-9-14(10-8-12)20(22)23/h7-10,13H,2-6H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM50332782
PNG
(CHEMBL368779 | N'-hydroxy-4-methoxybenzimidamide |...)
Show SMILES COc1ccc(cc1)C(=N)NO
Show InChI InChI=1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM50332791
PNG
(CHEMBL1630606 | N-Isopropyl-N-[3-(3-nitrophenyl)-1...)
Show SMILES CC(C)N(C(C)=O)c1nc(no1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H14N4O4/c1-8(2)16(9(3)18)13-14-12(15-21-13)10-5-4-6-11(7-10)17(19)20/h4-8H,1-3H3
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n/an/a 5.85E+4n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM50332786
PNG
(CHEMBL1630597 | N-Cyclohexyl-3-p-tolyl-1,2,4-oxadi...)
Show SMILES Cc1ccc(cc1)-c1noc(NC2CCCCC2)n1
Show InChI InChI=1S/C15H19N3O/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,16,17,18)
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n/an/a 9.20E+4n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM50332784
PNG
(3-(4-Chlorobenzyl)-N-isopropyl-1,2,4-oxadiazol-5-a...)
Show SMILES CC(C)Nc1nc(Cc2ccc(Cl)cc2)no1
Show InChI InChI=1S/C12H14ClN3O/c1-8(2)14-12-15-11(16-17-12)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15,16)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM50332788
PNG
(CHEMBL1630602 | N-Cyclohexyl-3-(4-nitrobenzyl)-1,2...)
Show SMILES [O-][N+](=O)c1ccc(Cc2noc(NC3CCCCC3)n2)cc1
Show InChI InChI=1S/C15H18N4O3/c20-19(21)13-8-6-11(7-9-13)10-14-17-15(22-18-14)16-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17,18)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM50332783
PNG
(CHEMBL1630583 | N'-hydroxy-4-methylbenzimidamide)
Show SMILES Cc1ccc(cc1)C(=N)NO
Show InChI InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM50332781
PNG
(CHEMBL1630610 | N-[3-(4-Chlorobenzyl)-1,2,4-oxadia...)
Show SMILES CC(=O)N(C1CCCCC1)c1nc(Cc2ccc(Cl)cc2)no1
Show InChI InChI=1S/C17H20ClN3O2/c1-12(22)21(15-5-3-2-4-6-15)17-19-16(20-23-17)11-13-7-9-14(18)10-8-13/h7-10,15H,2-6,11H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM50332785
PNG
(3-Cyclohexyl-N-isopropyl-1,2,4-oxadiazol-5-amine |...)
Show SMILES CC(C)Nc1nc(no1)C1CCCCC1
Show InChI InChI=1S/C11H19N3O/c1-8(2)12-11-13-10(14-15-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair
BiP isoform A


(Glycine max)
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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n/an/a 6.00E+5n/an/an/an/an/an/a



Democritus University of Thrace

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase at by UV spectrophotometry


Eur J Med Chem 45: 5635-45 (2010)

More data for this
Ligand-Target Pair