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Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'ninomiya' and Initial = 'k'   
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
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227831
PNG
(CHEMBL52242)
Show SMILES COc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1
Show InChI InChI=1S/C20H27NO3/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3/h4-10,13,18,22H,11-12,14-15H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227791
PNG
(CHEMBL53815)
Show SMILES CN(C)CCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C19H25NO/c1-20(2)15-8-16-21-19-12-7-6-11-18(19)14-13-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3
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4.60n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227978
PNG
(CHEMBL53316)
Show SMILES CN(C)CCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C18H23NO/c1-19(2)14-15-20-18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50228190
PNG
(CHEMBL54263)
Show SMILES CN(C)CCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C20H27NO/c1-21(2)16-8-9-17-22-20-13-7-6-12-19(20)15-14-18-10-4-3-5-11-18/h3-7,10-13H,8-9,14-17H2,1-2H3
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9.80n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227787
PNG
(CHEMBL1743933)
Show SMILES Cl.COc1cccc(CCc2ccccc2OCCCCN(C)C)c1
Show InChI InChI=1S/C21H29NO2/c1-22(2)15-6-7-16-24-21-12-5-4-10-19(21)14-13-18-9-8-11-20(17-18)23-3/h4-5,8-12,17H,6-7,13-16H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227837
PNG
(CHEMBL52131)
Show SMILES CN(C)CC(O)COc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C19H25NO2/c1-20(2)14-18(21)15-22-19-11-7-6-10-17(19)13-12-16-8-4-3-5-9-16/h3-11,18,21H,12-15H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50093789
PNG
(CHEMBL541829 | Succinic acid mono-(2-dimethylamino...)
Show SMILES COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)
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18n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227788
PNG
(CHEMBL1743936)
Show SMILES Cl.CN(C)CCCOc1ccccc1CCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H30N2O/c1-22(2)16-7-17-24-21-9-6-5-8-19(21)13-10-18-11-14-20(15-12-18)23(3)4/h5-6,8-9,11-12,14-15H,7,10,13,16-17H2,1-4H3
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23n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227974
PNG
(CHEMBL298554)
Show SMILES CN(C)CCCOc1ccc(Cl)cc1CCc1ccccc1
Show InChI InChI=1S/C19H24ClNO/c1-21(2)13-6-14-22-19-12-11-18(20)15-17(19)10-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227976
PNG
(CHEMBL299389)
Show SMILES CN(C)CCCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C21H29NO/c1-22(2)17-9-4-10-18-23-21-14-8-7-13-20(21)16-15-19-11-5-3-6-12-19/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227653
PNG
(CHEMBL299207)
Show SMILES CN(C)CC(COc1ccccc1CCc1cccc(F)c1)OC(=O)CCC(O)=O
Show InChI InChI=1S/C23H28FNO5/c1-25(2)15-20(30-23(28)13-12-22(26)27)16-29-21-9-4-3-7-18(21)11-10-17-6-5-8-19(24)14-17/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,26,27)
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41n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227977
PNG
(CHEMBL300631)
Show SMILES CCCCN(C)CCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C23H33NO/c1-3-4-18-24(2)19-10-11-20-25-23-15-9-8-14-22(23)17-16-21-12-6-5-7-13-21/h5-9,12-15H,3-4,10-11,16-20H2,1-2H3
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68n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227790
PNG
(CHEMBL53344)
Show SMILES CNCCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C19H25NO/c1-20-15-7-8-16-21-19-12-6-5-11-18(19)14-13-17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3
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71n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227789
PNG
(CHEMBL412653)
Show SMILES CN(C)CCCCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C22H31NO/c1-23(2)18-10-3-4-11-19-24-22-15-9-8-14-21(22)17-16-20-12-6-5-7-13-20/h5-9,12-15H,3-4,10-11,16-19H2,1-2H3
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75n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50330955
PNG
((1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymeth...)
Show SMILES OC[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C9H18O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2/t5-,6-,7+,8-,9+,19-/m1/s1
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PubMed
190n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human maltase-glucoamylase using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 35 mins by microtiter pla...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127751
BindingDB Entry DOI: 10.7270/Q22B92NF
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227832
PNG
(CHEMBL54101)
Show SMILES CN(CCCCOc1ccccc1CCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C26H31NO/c1-27(22-24-14-6-3-7-15-24)20-10-11-21-28-26-17-9-8-16-25(26)19-18-23-12-4-2-5-13-23/h2-9,12-17H,10-11,18-22H2,1H3
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198n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50228189
PNG
(CHEMBL52710)
Show SMILES CN(C)CCCCOc1ccc(CCc2ccccc2)cc1
Show InChI InChI=1S/C20H27NO/c1-21(2)16-6-7-17-22-20-14-12-19(13-15-20)11-10-18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3
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416n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50228052
PNG
(CHEMBL52982)
Show SMILES CN(C)CCCCOc1cccc(CCc2ccccc2)c1
Show InChI InChI=1S/C20H27NO/c1-21(2)15-6-7-16-22-20-12-8-11-19(17-20)14-13-18-9-4-3-5-10-18/h3-5,8-12,17H,6-7,13-16H2,1-2H3
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517n/an/an/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50549692
PNG
(CHEMBL4749306)
Show SMILES [Cl-].CCCCCCCCCCCCCC[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
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6.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human maltase-glucoamylase using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 35 mins by microtiter pla...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127751
BindingDB Entry DOI: 10.7270/Q22B92NF
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50549691
PNG
(CHEMBL4754034)
Show SMILES [Cl-].CCCC[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
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3.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human maltase-glucoamylase using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 35 mins by microtiter pla...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127751
BindingDB Entry DOI: 10.7270/Q22B92NF
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50549693
PNG
(CHEMBL4750690)
Show SMILES [Cl-].CCCCCCCC[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
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5.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human maltase-glucoamylase using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 35 mins by microtiter pla...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127751
BindingDB Entry DOI: 10.7270/Q22B92NF
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227831
PNG
(CHEMBL52242)
Show SMILES COc1cccc(CCc2ccccc2OCC(O)CN(C)C)c1
Show InChI InChI=1S/C20H27NO3/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3/h4-10,13,18,22H,11-12,14-15H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227791
PNG
(CHEMBL53815)
Show SMILES CN(C)CCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C19H25NO/c1-20(2)15-8-16-21-19-12-7-6-11-18(19)14-13-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3
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n/an/a 34n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50180584
PNG
(CHEMBL3814496)
Show SMILES [Cl-].OC[C@H](OCc1ccccc1[N+]([O-])=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C16H24NO8S.ClH/c18-5-14(25-7-10-3-1-2-4-11(10)17(23)24)12(20)8-26-9-13(21)16(22)15(26)6-19;/h1-4,12-16,18-22H,5-9H2;1H/q+1;/p-1/t12-,13-,14+,15-,16+,26?;/m1./s1
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n/an/a 42n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal sucrase using sucrose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50093789
PNG
(CHEMBL541829 | Succinic acid mono-(2-dimethylamino...)
Show SMILES COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)
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n/an/a 51n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227788
PNG
(CHEMBL1743936)
Show SMILES Cl.CN(C)CCCOc1ccccc1CCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H30N2O/c1-22(2)16-7-17-24-21-9-6-5-8-19(21)13-10-18-11-14-20(15-12-18)23(3)4/h5-6,8-9,11-12,14-15H,7,10,13,16-17H2,1-4H3
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n/an/a 54n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227837
PNG
(CHEMBL52131)
Show SMILES CN(C)CC(O)COc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C19H25NO2/c1-20(2)14-18(21)15-22-19-11-7-6-10-17(19)13-12-16-8-4-3-5-9-16/h3-11,18,21H,12-15H2,1-2H3
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n/an/a 55n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227787
PNG
(CHEMBL1743933)
Show SMILES Cl.COc1cccc(CCc2ccccc2OCCCCN(C)C)c1
Show InChI InChI=1S/C21H29NO2/c1-22(2)15-6-7-16-24-21-12-5-4-10-19(21)14-13-18-9-8-11-20(17-18)23-3/h4-5,8-12,17H,6-7,13-16H2,1-3H3
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n/an/a 62n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 72n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of rat lens aldose reductase using DL-glyceraldehyde as substrate after 30 mins by fluorescence microplate reader analysis


Bioorg Med Chem 20: 832-40 (2012)


Article DOI: 10.1016/j.bmc.2011.11.067
BindingDB Entry DOI: 10.7270/Q20K291D
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50180583
PNG
(CHEMBL3815109)
Show SMILES [Cl-].CC(C)(C)CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C14H29O6S.ClH/c1-14(2,3)8-20-11(4-15)9(17)6-21-7-10(18)13(19)12(21)5-16;/h9-13,15-19H,4-8H2,1-3H3;1H/q+1;/p-1/t9-,10-,11+,12-,13+,21?;/m1./s1
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n/an/a 90n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal sucrase using sucrose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50180582
PNG
(CHEMBL3814988)
Show SMILES [Cl-].CC(C)CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C13H27O6S.ClH/c1-8(2)5-19-11(3-14)9(16)6-20-7-10(17)13(18)12(20)4-15;/h8-18H,3-7H2,1-2H3;1H/q+1;/p-1/t9-,10-,11+,12-,13+,20?;/m1./s1
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n/an/a 90n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal sucrase using sucrose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227978
PNG
(CHEMBL53316)
Show SMILES CN(C)CCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C18H23NO/c1-19(2)14-15-20-18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
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n/an/a 96n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50228190
PNG
(CHEMBL54263)
Show SMILES CN(C)CCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C20H27NO/c1-21(2)16-8-9-17-22-20-13-7-6-12-19(20)15-14-18-10-4-3-5-11-18/h3-7,10-13H,8-9,14-17H2,1-2H3
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n/an/a 115n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50180520
PNG
(CHEMBL3814838)
Show SMILES [Cl-].CCO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23O6S.ClH/c1-2-17-9(3-12)7(14)5-18-6-8(15)11(16)10(18)4-13;/h7-16H,2-6H2,1H3;1H/q+1;/p-1/t7-,8-,9+,10-,11+,18?;/m1./s1
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n/an/a 120n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal sucrase using sucrose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50342937
PNG
((1S,2R,3S,4S)-1-((2S,3S)-3-ethoxy-2,4-dihydroxybut...)
Show SMILES CCO[C@@H](CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23O6S/c1-2-17-9(3-12)7(14)5-18-6-8(15)11(16)10(18)4-13/h7-16H,2-6H2,1H3/q+1/t7-,8-,9+,10-,11+,18-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal sucrase after 30 mins by glucose-oxidase method


Bioorg Med Chem Lett 21: 3159-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.109
BindingDB Entry DOI: 10.7270/Q2DF6RJC
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227653
PNG
(CHEMBL299207)
Show SMILES CN(C)CC(COc1ccccc1CCc1cccc(F)c1)OC(=O)CCC(O)=O
Show InChI InChI=1S/C23H28FNO5/c1-25(2)15-20(30-23(28)13-12-22(26)27)16-29-21-9-4-3-7-18(21)11-10-17-6-5-8-19(24)14-17/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,26,27)
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n/an/a 133n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50342939
PNG
((1S,2R,3S,4S)-1-((2S,3S)-3-(benzyloxy)-2,4-dihydro...)
Show SMILES OC[C@H](OCc1ccccc1)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C16H25O6S/c17-6-14(22-8-11-4-2-1-3-5-11)12(19)9-23-10-13(20)16(21)15(23)7-18/h1-5,12-21H,6-10H2/q+1/t12-,13-,14+,15-,16+,23-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal isomaltase after 30 mins by glucose-oxidase method


Bioorg Med Chem Lett 21: 3159-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.109
BindingDB Entry DOI: 10.7270/Q2DF6RJC
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50180584
PNG
(CHEMBL3814496)
Show SMILES [Cl-].OC[C@H](OCc1ccccc1[N+]([O-])=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C16H24NO8S.ClH/c18-5-14(25-7-10-3-1-2-4-11(10)17(23)24)12(20)8-26-9-13(21)16(22)15(26)6-19;/h1-4,12-16,18-22H,5-9H2;1H/q+1;/p-1/t12-,13-,14+,15-,16+,26?;/m1./s1
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n/an/a 150n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of human small intestine microsomal maltase using maltose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227789
PNG
(CHEMBL412653)
Show SMILES CN(C)CCCCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C22H31NO/c1-23(2)18-10-3-4-11-19-24-22-15-9-8-14-21(22)17-16-20-12-6-5-7-13-20/h5-9,12-15H,3-4,10-11,16-19H2,1-2H3
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n/an/a 152n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50227790
PNG
(CHEMBL53344)
Show SMILES CNCCCCOc1ccccc1CCc1ccccc1
Show InChI InChI=1S/C19H25NO/c1-20-15-7-8-16-21-19-12-6-5-11-18(19)14-13-17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3
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n/an/a 157n/an/an/an/an/an/a



Mitsubishi Kasei Corporation

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.


J Med Chem 33: 1818-23 (1990)


BindingDB Entry DOI: 10.7270/Q2FB5559
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50263044
PNG
(CHEMBL476960 | Voglibose)
Show SMILES OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/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 rat small intestinal sucrase after 30 mins by glucose-oxidase method


Bioorg Med Chem Lett 21: 3159-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.109
BindingDB Entry DOI: 10.7270/Q2DF6RJC
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50263044
PNG
(CHEMBL476960 | Voglibose)
Show SMILES OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/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 rat intestinal sucrase


Bioorg Med Chem 19: 2015-22 (2011)


Article DOI: 10.1016/j.bmc.2011.01.052
BindingDB Entry DOI: 10.7270/Q2J1044C
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50180584
PNG
(CHEMBL3814496)
Show SMILES [Cl-].OC[C@H](OCc1ccccc1[N+]([O-])=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C16H24NO8S.ClH/c18-5-14(25-7-10-3-1-2-4-11(10)17(23)24)12(20)8-26-9-13(21)16(22)15(26)6-19;/h1-4,12-16,18-22H,5-9H2;1H/q+1;/p-1/t12-,13-,14+,15-,16+,26?;/m1./s1
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n/an/a 210n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal isomaltase using isomaltose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50180580
PNG
(CHEMBL3814911)
Show SMILES [Cl-].CCCCCCCO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C16H33O6S.ClH/c1-2-3-4-5-6-7-22-14(8-17)12(19)10-23-11-13(20)16(21)15(23)9-18;/h12-21H,2-11H2,1H3;1H/q+1;/p-1/t12-,13-,14+,15-,16+,23?;/m1./s1
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n/an/a 240n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal sucrase using sucrose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50180580
PNG
(CHEMBL3814911)
Show SMILES [Cl-].CCCCCCCO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C16H33O6S.ClH/c1-2-3-4-5-6-7-22-14(8-17)12(19)10-23-11-13(20)16(21)15(23)9-18;/h12-21H,2-11H2,1H3;1H/q+1;/p-1/t12-,13-,14+,15-,16+,23?;/m1./s1
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n/an/a 250n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal isomaltase using isomaltose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50342937
PNG
((1S,2R,3S,4S)-1-((2S,3S)-3-ethoxy-2,4-dihydroxybut...)
Show SMILES CCO[C@@H](CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23O6S/c1-2-17-9(3-12)7(14)5-18-6-8(15)11(16)10(18)4-13/h7-16H,2-6H2,1H3/q+1/t7-,8-,9+,10-,11+,18-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal isomaltase after 30 mins by glucose-oxidase method


Bioorg Med Chem Lett 21: 3159-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.109
BindingDB Entry DOI: 10.7270/Q2DF6RJC
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50180520
PNG
(CHEMBL3814838)
Show SMILES [Cl-].CCO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23O6S.ClH/c1-2-17-9(3-12)7(14)5-18-6-8(15)11(16)10(18)4-13;/h7-16H,2-6H2,1H3;1H/q+1;/p-1/t7-,8-,9+,10-,11+,18?;/m1./s1
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n/an/a 270n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal isomaltase using isomaltose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50180583
PNG
(CHEMBL3815109)
Show SMILES [Cl-].CC(C)(C)CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C14H29O6S.ClH/c1-14(2,3)8-20-11(4-15)9(17)6-21-7-10(18)13(19)12(21)5-16;/h9-13,15-19H,4-8H2,1-3H3;1H/q+1;/p-1/t9-,10-,11+,12-,13+,21?;/m1./s1
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n/an/a 280n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal isomaltase using isomaltose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50327501
PNG
(CHEMBL1258528 | ponkoranol)
Show SMILES OC[C@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H22O11S2/c12-1-5(14)10(18)11(22-24(19,20)21)7(16)4-23-3-6(15)9(17)8(23)2-13/h5-18H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,23-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase


Bioorg Med Chem 19: 2015-22 (2011)


Article DOI: 10.1016/j.bmc.2011.01.052
BindingDB Entry DOI: 10.7270/Q2J1044C
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50180586
PNG
(CHEMBL1182462)
Show SMILES OC[C@H](O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C9H19O6S/c10-1-5(12)6(13)3-16-4-7(14)9(15)8(16)2-11/h5-15H,1-4H2/q+1/t5-,6+,7+,8+,9-,16?/m0/s1
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CHEMBL
PC cid
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Article
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n/an/a 300n/an/an/an/an/an/a



Kindai University

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal isomaltase using isomaltose as substrate incubated for 30 mins by glucose-oxidase method


Bioorg Med Chem 24: 3705-15 (2016)


Article DOI: 10.1016/j.bmc.2016.06.013
BindingDB Entry DOI: 10.7270/Q241700V
More data for this
Ligand-Target Pair
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