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PubMed code 18569333

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86107
PNG
(Galanthamine, 7)
Show SMILES COc1ccc2CN(C)CC3=C[C@H](O)C[C@@H]4Oc1c2[C@@H]34
Show InChI InChI=1S/C16H19NO3/c1-17-7-9-3-4-12(19-2)16-15(9)14-10(8-17)5-11(18)6-13(14)20-16/h3-5,11,13-14,18H,6-8H2,1-2H3/t11-,13-,14-/m0/s1
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PubMed
n/an/a 8.50E+3n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86103
PNG
(3'-Hydroxyepiglucoisatisin, 3)
Show SMILES OCC1OC(SC(CC(OC(=O)CC2(O)C(=O)Nc3ccccc23)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C21H26N2O13S2/c1-2-10(34-15(25)8-21(30)11-5-3-4-6-12(11)22-20(21)29)7-14(23-36-38(31,32)33)37-19-18(28)17(27)16(26)13(9-24)35-19/h2-6,10,13,16-19,24,26-28,30H,1,7-9H2,(H,22,29)(H,31,32,33)
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PubMed
n/an/a 1.63E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86102
PNG
(Epiglucoisatisin, 2)
Show SMILES OCC1OC(SC(CC(OC(=O)CC2C(=O)Nc3ccccc23)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C21H26N2O12S2/c1-2-10(33-16(25)8-12-11-5-3-4-6-13(11)22-20(12)29)7-15(23-35-37(30,31)32)36-21-19(28)18(27)17(26)14(9-24)34-21/h2-6,10,12,14,17-19,21,24,26-28H,1,7-9H2,(H,22,29)(H,30,31,32)
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n/an/a 1.97E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 2.20E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86101
PNG
(2-[Cyano(3-indolyl) methylene]-3-indolone, 1)
Show SMILES O=C1C(Nc2ccccc12)=C(C#N)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H11N3O/c19-9-13(14-10-20-15-7-3-1-5-11(14)15)17-18(22)12-6-2-4-8-16(12)21-17/h1-8,10,20-21H/b17-13-
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n/an/a 2.35E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86104
PNG
(Sulfoglucobrassicin, 4)
Show SMILES OCC1OC(SC(Cc2cc3ccccc3n2S(O)(=O)=O)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)6-9-5-8-3-1-2-4-10(8)18(9)32(23,24)25/h1-5,11,13-16,19-22H,6-7H2,(H,23,24,25)(H,26,27,28)
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n/an/a 2.48E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86103
PNG
(3'-Hydroxyepiglucoisatisin, 3)
Show SMILES OCC1OC(SC(CC(OC(=O)CC2(O)C(=O)Nc3ccccc23)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C21H26N2O13S2/c1-2-10(34-15(25)8-21(30)11-5-3-4-6-12(11)22-20(21)29)7-14(23-36-38(31,32)33)37-19-18(28)17(27)16(26)13(9-24)35-19/h2-6,10,13,16-19,24,26-28,30H,1,7-9H2,(H,22,29)(H,31,32,33)
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n/an/a 3.06E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86102
PNG
(Epiglucoisatisin, 2)
Show SMILES OCC1OC(SC(CC(OC(=O)CC2C(=O)Nc3ccccc23)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C21H26N2O12S2/c1-2-10(33-16(25)8-12-11-5-3-4-6-13(11)22-20(12)29)7-15(23-35-37(30,31)32)36-21-19(28)18(27)17(26)14(9-24)34-21/h2-6,10,12,14,17-19,21,24,26-28H,1,7-9H2,(H,22,29)(H,30,31,32)
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n/an/a 3.37E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86101
PNG
(2-[Cyano(3-indolyl) methylene]-3-indolone, 1)
Show SMILES O=C1C(Nc2ccccc12)=C(C#N)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H11N3O/c19-9-13(14-10-20-15-7-3-1-5-11(14)15)17-18(22)12-6-2-4-8-16(12)21-17/h1-8,10,20-21H/b17-13-
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n/an/a 3.91E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86104
PNG
(Sulfoglucobrassicin, 4)
Show SMILES OCC1OC(SC(Cc2cc3ccccc3n2S(O)(=O)=O)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)6-9-5-8-3-1-2-4-10(8)18(9)32(23,24)25/h1-5,11,13-16,19-22H,6-7H2,(H,23,24,25)(H,26,27,28)
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n/an/a 4.19E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86105
PNG
(Isatan A, 5)
Show SMILES OC1C(COC(=O)CC(O)=O)OC(Oc2c[nH]c3ccccc23)C(O)C1=O
Show InChI InChI=1S/C17H17NO9/c19-12(20)5-13(21)25-7-11-14(22)15(23)16(24)17(27-11)26-10-6-18-9-4-2-1-3-8(9)10/h1-4,6,11,14,16-18,22,24H,5,7H2,(H,19,20)
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n/an/a 4.34E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86106
PNG
(Isatan B, 6)
Show SMILES OCC1OC(Oc2c[nH]c3ccccc23)C(O)C(=O)C1O
Show InChI InChI=1S/C14H15NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-11,13-17,19H,6H2
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n/an/a 4.76E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86105
PNG
(Isatan A, 5)
Show SMILES OC1C(COC(=O)CC(O)=O)OC(Oc2c[nH]c3ccccc23)C(O)C1=O
Show InChI InChI=1S/C17H17NO9/c19-12(20)5-13(21)25-7-11-14(22)15(23)16(24)17(27-11)26-10-6-18-9-4-2-1-3-8(9)10/h1-4,6,11,14,16-18,22,24H,5,7H2,(H,19,20)
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n/an/a 4.93E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86106
PNG
(Isatan B, 6)
Show SMILES OCC1OC(Oc2c[nH]c3ccccc23)C(O)C(=O)C1O
Show InChI InChI=1S/C14H15NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-11,13-17,19H,6H2
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n/an/a 5.38E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%