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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'miyazawa' and Initial = 'm'   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50310823
PNG
(CHEMBL1078442 | bergamottin)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
Show InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
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700n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-substrate-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixo...


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361390
PNG
(BYAKANGELICIN)
Show SMILES COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 |r|
Show InChI InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-substrate-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixo...


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50308720
PNG
(6,7-Furano-5-prenyloxy hydrocoumaric acid methyl e...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]-c1c(-[#8])cc2occc2c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C17H20O5/c1-11(2)6-8-22-17-12(4-5-16(19)20-3)14(18)10-15-13(17)7-9-21-15/h6-7,9-10,18H,4-5,8H2,1-3H3
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1.13E+4n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant BACE1 by Lineweaver-Burke plot analysis


Bioorg Med Chem 18: 455-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.004
BindingDB Entry DOI: 10.7270/Q2K64J6S
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361388
PNG
(CHEMBL1934195)
Show SMILES [#6]-[#8]-c1c2occc2c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2ccc(=O)oc12
Show InChI InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+
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1.37E+4n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-substrate-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixo...


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50310823
PNG
(CHEMBL1078442 | bergamottin)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
Show InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
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3.48E+4n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixon and Corn...


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361390
PNG
(BYAKANGELICIN)
Show SMILES COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 |r|
Show InChI InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1
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5.50E+4n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixon and Corn...


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361381
PNG
(CHEMBL1412710)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
Show InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
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6.16E+4n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixon and Corn...


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361381
PNG
(CHEMBL1412710)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
Show InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
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6.19E+4n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-substrate-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixo...


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50296247
PNG
(3-(3,4-Dihydroxyphenyl)-N-[2-(5-hydroxyindol-3-yl)...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)\C=C\c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C19H18N2O4/c22-14-3-4-16-15(10-14)13(11-21-16)7-8-20-19(25)6-2-12-1-5-17(23)18(24)9-12/h1-6,9-11,21-24H,7-8H2,(H,20,25)/b6-2+
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6.55E+4n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of COX2 by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 22: 2494-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.002
BindingDB Entry DOI: 10.7270/Q28W3F9M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361388
PNG
(CHEMBL1934195)
Show SMILES [#6]-[#8]-c1c2occc2c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2ccc(=O)oc12
Show InChI InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+
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1.03E+5n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixon and Corn...


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50100436
PNG
(CHEMBL412768 | NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C73H118N16O27/c1-11-37(8)59(88-66(108)45(23-27-56(101)102)79-63(105)43(21-25-54(97)98)81-72(114)60(39(10)91)89-62(104)41(75)19-15-16-28-74)71(113)85-49(33-90)68(110)80-44(22-26-55(99)100)65(107)87-58(36(6)7)70(112)83-47(31-51(76)93)67(109)82-46(29-34(2)3)50(92)32-52(94)86-57(35(4)5)69(111)77-38(9)61(103)78-42(20-24-53(95)96)64(106)84-48(73(115)116)30-40-17-13-12-14-18-40/h12-14,17-18,34-39,41-50,57-60,90-92H,11,15-16,19-33,74-75H2,1-10H3,(H2,76,93)(H,77,111)(H,78,103)(H,79,105)(H,80,110)(H,81,114)(H,82,109)(H,83,112)(H,84,106)(H,85,113)(H,86,94)(H,87,107)(H,88,108)(H,89,104)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,115,116)/t37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-,59-,60-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes acetylcholinesterase after 15 mins


J Nat Prod 74: 86-9 (2011)


Article DOI: 10.1021/np100416v
BindingDB Entry DOI: 10.7270/Q2154J2P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50341137
PNG
(CHEMBL1760549 | N-Isoferuloyl serotonin)
Show SMILES COc1ccc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1O
Show InChI InChI=1S/C20H20N2O4/c1-26-19-6-2-13(10-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+
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n/an/a 5.40E+3n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50296246
PNG
(CHEMBL564482 | N-Feruloylserotonin)
Show SMILES COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O
Show InChI InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+
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n/an/a 8.00E+3n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50341135
PNG
(CHEMBL1760547 | N-p-Coumaroyl serotonin)
Show SMILES Oc1ccc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
Show InChI InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3+
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n/an/a 8.80E+3n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361388
PNG
(CHEMBL1934195)
Show SMILES [#6]-[#8]-c1c2occc2c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2ccc(=O)oc12
Show InChI InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+
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n/an/a 9.90E+3n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361391
PNG
(CHEMBL1934197)
Show SMILES [#6]-[#8]-c1c2ccoc2c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)ccc12
Show InChI InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-26-22-20-17(11-13-25-20)19(24-4)16-8-9-18(23)27-21(16)22/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+
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n/an/a 1.11E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50308717
PNG
(6,7-Furano-8a-methoxy-5-prenyloxy hydrocoumaric ac...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]-c1c(-[#8]-[#6])cc2occc2c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C18H22O5/c1-12(2)7-9-23-18-13(5-6-17(19)21-4)15(20-3)11-16-14(18)8-10-22-16/h7-8,10-11H,5-6,9H2,1-4H3
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n/an/a 1.62E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by fluorescence assay


Bioorg Med Chem 18: 455-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.004
BindingDB Entry DOI: 10.7270/Q2K64J6S
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361381
PNG
(CHEMBL1412710)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
Show InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
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n/an/a 2.04E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50341136
PNG
(CHEMBL1760548 | N-p-Methoxy cinnamoyl serotonin)
Show SMILES COc1ccc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
Show InChI InChI=1S/C20H20N2O3/c1-25-17-6-2-14(3-7-17)4-9-20(24)21-11-10-15-13-22-19-8-5-16(23)12-18(15)19/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-4+
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n/an/a 2.38E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243068
PNG
(11-O-(3',4'-dimethoxybenzoyl)-bergenin (6))
Show SMILES COc1ccc(cc1OC)C(=O)OC[C@H]1OC2C(OC(=O)c3cc(O)c(OC)c(O)c23)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C23H24O12/c1-30-12-5-4-9(6-13(12)31-2)22(28)33-8-14-16(25)18(27)21-20(34-14)15-10(23(29)35-21)7-11(24)19(32-3)17(15)26/h4-7,14,16,18,20-21,24-27H,8H2,1-3H3/t14-,16-,18+,20?,21?/s2
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n/an/a 2.46E+4n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50341142
PNG
((E)-3-(4-Hydroxy-3,5-dimethoxy-phenyl)-acrylic aci...)
Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1O
Show InChI InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
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n/an/a 2.80E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of COX2 after 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 22: 2494-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.002
BindingDB Entry DOI: 10.7270/Q28W3F9M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50308719
PNG
((9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]b...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
Show InChI InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
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n/an/a 3.05E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by fluorescence assay


Bioorg Med Chem 18: 455-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.004
BindingDB Entry DOI: 10.7270/Q2K64J6S
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50310823
PNG
(CHEMBL1078442 | bergamottin)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
Show InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
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n/an/a 3.22E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50341142
PNG
((E)-3-(4-Hydroxy-3,5-dimethoxy-phenyl)-acrylic aci...)
Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1O
Show InChI InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
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n/an/a 3.92E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of COX1 after 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 22: 2494-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.002
BindingDB Entry DOI: 10.7270/Q28W3F9M
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50341134
PNG
(CHEMBL1760546 | N-Cinnamoyl serotonin)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)\C=C\c3ccccc3)c2c1
Show InChI InChI=1S/C19H18N2O2/c22-16-7-8-18-17(12-16)15(13-21-18)10-11-20-19(23)9-6-14-4-2-1-3-5-14/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b9-6+
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n/an/a 4.04E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50296247
PNG
(3-(3,4-Dihydroxyphenyl)-N-[2-(5-hydroxyindol-3-yl)...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)\C=C\c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C19H18N2O4/c22-14-3-4-16-15(10-14)13(11-21-16)7-8-20-19(25)6-2-12-1-5-17(23)18(24)9-12/h1-6,9-11,21-24H,7-8H2,(H,20,25)/b6-2+
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n/an/a 4.25E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of COX2 after 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 22: 2494-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.002
BindingDB Entry DOI: 10.7270/Q28W3F9M
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 5.14E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50335906
PNG
((+)-(S)-dihydro-ar-turmerone | CHEMBL1668334)
Show SMILES CC(C)CC(=O)C[C@H](C)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-8,11,13H,9-10H2,1-4H3/t13-/m0/s1
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n/an/a 8.15E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes acetylcholinesterase after 15 mins


J Nat Prod 74: 86-9 (2011)


Article DOI: 10.1021/np100416v
BindingDB Entry DOI: 10.7270/Q2154J2P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50308719
PNG
((9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]b...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
Show InChI InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
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n/an/a 9.18E+4n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361389
PNG
(CHEMBL1934196)
Show SMILES COc1c2ccoc2c(OC[C@H]2OC2(C)C)c2oc(=O)ccc12 |r|
Show InChI InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1
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n/an/a 1.05E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50241245
PNG
((2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic aci...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1O
Show InChI InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
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n/an/a 1.15E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243064
PNG
(11-O-benzoylbergenin (2))
Show SMILES COc1c(O)cc2C(=O)OC3[C@@H](O)[C@H](O)[C@@H](COC(=O)c4ccccc4)OC3c2c1O |r|
Show InChI InChI=1/C21H20O10/c1-28-17-11(22)7-10-13(15(17)24)18-19(31-21(10)27)16(25)14(23)12(30-18)8-29-20(26)9-5-3-2-4-6-9/h2-7,12,14,16,18-19,22-25H,8H2,1H3/t12-,14-,16+,18?,19?/s2
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n/an/a 1.18E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
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n/an/a 1.21E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
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 1.30E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of COX2 after 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 22: 2494-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.002
BindingDB Entry DOI: 10.7270/Q28W3F9M
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243065
PNG
(11-O-p-hydroxybenzoylbergenin (3))
Show SMILES COc1c(O)cc2C(=O)OC3[C@@H](O)[C@H](O)[C@@H](COC(=O)c4ccc(O)cc4)OC3c2c1O |r|
Show InChI InChI=1/C21H20O11/c1-29-17-11(23)6-10-13(15(17)25)18-19(32-21(10)28)16(26)14(24)12(31-18)7-30-20(27)8-2-4-9(22)5-3-8/h2-6,12,14,16,18-19,22-26H,7H2,1H3/t12-,14-,16+,18?,19?/s2
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n/an/a 1.43E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243066
PNG
(11-O-p-methoxybenzoylbergenin (4))
Show SMILES COc1ccc(cc1)C(=O)OC[C@H]1OC2C(OC(=O)c3cc(O)c(OC)c(O)c23)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C22H22O11/c1-29-10-5-3-9(4-6-10)21(27)31-8-13-15(24)17(26)20-19(32-13)14-11(22(28)33-20)7-12(23)18(30-2)16(14)25/h3-7,13,15,17,19-20,23-26H,8H2,1-2H3/t13-,15-,17+,19?,20?/s2
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n/an/a 1.44E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50308718
PNG
(6,7-furano-5-prenyloxy hydrocoumaric acid | CHEMBL...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c(-[#6]-[#6]-[#6](-[#8])=O)c(-[#8])cc2occc12
Show InChI InChI=1S/C16H18O5/c1-10(2)5-7-21-16-11(3-4-15(18)19)13(17)9-14-12(16)6-8-20-14/h5-6,8-9,17H,3-4,7H2,1-2H3,(H,18,19)
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n/an/a 1.86E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by fluorescence assay


Bioorg Med Chem 18: 455-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.004
BindingDB Entry DOI: 10.7270/Q2K64J6S
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243069
PNG
(11-O-vanilloylbergenin (7))
Show SMILES COc1cc(ccc1O)C(=O)OC[C@H]1OC2C(OC(=O)c3cc(O)c(OC)c(O)c23)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C22H22O12/c1-30-12-5-8(3-4-10(12)23)21(28)32-7-13-15(25)17(27)20-19(33-13)14-9(22(29)34-20)6-11(24)18(31-2)16(14)26/h3-6,13,15,17,19-20,23-27H,7H2,1-2H3/t13-,15-,17+,19?,20?/s2
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n/an/a 1.87E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50335905
PNG
((+)-(S)-ar-turmerone | CHEMBL1668333)
Show SMILES [#6]-[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#6])cc1 |r|
Show InChI InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3/t13-/m0/s1
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n/an/a 1.91E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes acetylcholinesterase after 15 mins


J Nat Prod 74: 86-9 (2011)


Article DOI: 10.1021/np100416v
BindingDB Entry DOI: 10.7270/Q2154J2P
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50219502
PNG
(4-hydroxyphenyl beta-D-glucopyranoside | Arbutin |...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
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n/an/a 2.01E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50308720
PNG
(6,7-Furano-5-prenyloxy hydrocoumaric acid methyl e...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]-c1c(-[#8])cc2occc2c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C17H20O5/c1-11(2)6-8-22-17-12(4-5-16(19)20-3)14(18)10-15-13(17)7-9-21-15/h6-7,9-10,18H,4-5,8H2,1-3H3
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n/an/a 2.03E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by fluorescence assay


Bioorg Med Chem 18: 455-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.004
BindingDB Entry DOI: 10.7270/Q2K64J6S
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50308721
PNG
(6,7-Furano-8a-methoxy-5-prenyloxy hydrocoumaric ac...)
Show SMILES [#6]-[#8]-c1cc2occc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#6]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C17H20O5/c1-11(2)6-8-22-17-12(4-5-16(18)19)14(20-3)10-15-13(17)7-9-21-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)
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n/an/a 2.03E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by fluorescence assay


Bioorg Med Chem 18: 455-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.004
BindingDB Entry DOI: 10.7270/Q2K64J6S
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361390
PNG
(BYAKANGELICIN)
Show SMILES COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 |r|
Show InChI InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50242377
PNG
(CHEMBL448060 | isoimperatorin)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
Show InChI InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
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n/an/a 2.44E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50242377
PNG
(CHEMBL448060 | isoimperatorin)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
Show InChI InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
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n/an/a 2.44E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by fluorescence assay


Bioorg Med Chem 18: 455-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.004
BindingDB Entry DOI: 10.7270/Q2K64J6S
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/a 2.78E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50296247
PNG
(3-(3,4-Dihydroxyphenyl)-N-[2-(5-hydroxyindol-3-yl)...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)\C=C\c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C19H18N2O4/c22-14-3-4-16-15(10-14)13(11-21-16)7-8-20-19(25)6-2-12-1-5-17(23)18(24)9-12/h1-6,9-11,21-24H,7-8H2,(H,20,25)/b6-2+
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Kinki University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry


Bioorg Med Chem Lett 21: 1983-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.028
BindingDB Entry DOI: 10.7270/Q2T43TCF
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243067
PNG
(11-O-protocatechuoylbergenin (5))
Show SMILES COc1c(O)cc2C(=O)OC3[C@@H](O)[C@H](O)[C@@H](COC(=O)c4ccc(O)c(O)c4)OC3c2c1O |r|
Show InChI InChI=1/C21H20O12/c1-30-17-11(24)5-8-13(15(17)26)18-19(33-21(8)29)16(27)14(25)12(32-18)6-31-20(28)7-2-3-9(22)10(23)4-7/h2-5,12,14,16,18-19,22-27H,6H2,1H3/t12-,14-,16+,18?,19?/s2
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n/an/a 2.90E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243063
PNG
(Bergenin (1))
Show SMILES COc1c(O)cc2C(=O)OC3[C@@H](O)[C@H](O)[C@@H](CO)OC3c2c1O |r|
Show InChI InChI=1/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12?,13?/s2
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Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
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