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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'lu' and Initial = 'tt'   
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
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583383
PNG
(CHEMBL5028005 | US20230339856, Compound (IIb3))
Show SMILES CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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4.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583382
PNG
(CHEMBL5028265)
Show SMILES CCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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6.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583381
PNG
(CHEMBL5029066 | US20230339856, Compound (IIb1))
Show SMILES CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583380
PNG
(CHEMBL5027974)
Show SMILES CCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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37n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18353
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...)
Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
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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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583379
PNG
(CHEMBL5028138 | US20230339856, Compound (IIb))
Show SMILES CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50335398
PNG
(CHEMBL1651551 | N-Heptyl-1-deoxynojirimycin)
Show SMILES CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11+,12-,13-/m1/s1
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95n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18356
PNG
((2R,3R,4R,5S)-1-hexyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3/t9-,10+,11-,12-/m1/s1
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130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50335399
PNG
(CHEMBL1651549 | N-Pentyl-1-deoxynojirimycin)
Show SMILES CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO4/c1-2-3-4-5-12-6-9(14)11(16)10(15)8(12)7-13/h8-11,13-16H,2-7H2,1H3/t8-,9+,10-,11-/m1/s1
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210n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583384
PNG
(CHEMBL5080975)
Show SMILES CCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
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210n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18354
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-propylpiperidine...)
Show SMILES CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C9H19NO4/c1-2-3-10-4-7(12)9(14)8(13)6(10)5-11/h6-9,11-14H,2-5H2,1H3/t6-,7+,8-,9-/m1/s1
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360n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583385
PNG
(CHEMBL5028105)
Show SMILES CCCCCCC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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2.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583378
PNG
(CHEMBL5028084 | US20230339856, Compound (IIa))
Show SMILES CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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6.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583377
PNG
(CHEMBL5028072)
Show SMILES C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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3.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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PubMed
n/an/a 7.80n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) using PHOME as substrate measured for 1 hr by fluorescence assay


J Nat Prod 80: 1867-1875 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00166
BindingDB Entry DOI: 10.7270/Q20R9S1K
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573735
PNG
(CHEMBL4860203)
Show SMILES Cl.CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573741
PNG
(CHEMBL4873807)
Show SMILES Cl.CCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50065258
PNG
((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of placental alpha-L-fucosidase (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573739
PNG
(CHEMBL4858697)
Show SMILES Cl.CCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
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 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573744
PNG
(CHEMBL4868336)
Show SMILES Cl.CCCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573734
PNG
(CHEMBL4856375)
Show SMILES Cl.C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573736
PNG
(CHEMBL4857181)
Show SMILES Cl.CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573740
PNG
(CHEMBL4855098)
Show SMILES Cl.CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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UniChem
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573738
PNG
(CHEMBL4874620)
Show SMILES Cl.CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573741
PNG
(CHEMBL4873807)
Show SMILES Cl.CCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 340n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50456393
PNG
(CHEMBL4204496)
Show SMILES [H][C@]12[C@H](C)C[C@@]([H])(O[C@@]1(O)[C@H](O)[C@@]1(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@]1([H])OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C)[C@@H](OC(C)=O)C(C)(C)O |r|
Show InChI InChI=1S/C37H60O11/c1-18-15-21(28(32(5,6)43)46-19(2)38)48-37(44)27(18)33(7)13-14-36-17-35(36)12-11-24(47-29-26(41)25(40)20(39)16-45-29)31(3,4)22(35)9-10-23(36)34(33,8)30(37)42/h18,20-30,39-44H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26-,27-,28-,29+,30-,33-,34-,35-,36+,37-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) using PHOME as substrate measured for 1 hr by fluorescence assay


J Nat Prod 80: 1867-1875 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00166
BindingDB Entry DOI: 10.7270/Q20R9S1K
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50456395
PNG
(CHEMBL4211861)
Show SMILES [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC=C6[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)(C)OC)O2 |r,c:37|
Show InChI InChI=1S/C36H56O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h10,18-21,23-29,37-40H,9,11-17H2,1-8H3/t18-,19-,20-,21+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) using PHOME as substrate measured for 1 hr by fluorescence assay


J Nat Prod 80: 1867-1875 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00166
BindingDB Entry DOI: 10.7270/Q20R9S1K
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573742
PNG
(CHEMBL4863963)
Show SMILES Cl.CCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 450n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573740
PNG
(CHEMBL4855098)
Show SMILES Cl.CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
UniProtKB/SwissProt

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n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573739
PNG
(CHEMBL4858697)
Show SMILES Cl.CCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573737
PNG
(CHEMBL4854197)
Show SMILES Cl.CCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 560n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
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 610n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50399650
PNG
(CHEMBL2177689)
Show SMILES C[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c1-6(3-8)5(10)4(9)2-7-6/h4-5,7-10H,2-3H2,1H3/t4-,5+,6-/m0/s1
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n/an/a 660n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573738
PNG
(CHEMBL4874620)
Show SMILES Cl.CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573734
PNG
(CHEMBL4856375)
Show SMILES Cl.C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 960n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Homo sapiens (Human))
BDBM50375511
PNG
(CHEMBL406973)
Show SMILES OC[C@@H]1NC[C@H](O)[C@H]1O
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Sucrase (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50573734
PNG
(CHEMBL4856375)
Show SMILES Cl.C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha-glucosidase


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573744
PNG
(CHEMBL4868336)
Show SMILES Cl.CCCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573735
PNG
(CHEMBL4860203)
Show SMILES Cl.CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573745
PNG
(CHEMBL4873613)
Show SMILES Cl.CCCCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
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 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha-glucosidase


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573743
PNG
(CHEMBL4864234)
Show SMILES Cl.CCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573736
PNG
(CHEMBL4857181)
Show SMILES Cl.CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573742
PNG
(CHEMBL4863963)
Show SMILES Cl.CCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Alpha-amylase


(Tenebrio molitor)
BDBM50090176
PNG
(CHEMBL3581562)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@]1([H])CSSC[C@H](N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(O)=O)NC3=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C18H19N3/c1-14(15-9-5-3-6-10-15)20-18-19-13-17(21(18)2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,19,20)/t14-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of Tenebrio molitor alpha-amylase pre-incubated for 20 mins at 37 degC by bernfeld method


J Nat Prod 78: 695-704 (2015)


Article DOI: 10.1021/np500866c
BindingDB Entry DOI: 10.7270/Q2Q241Z9
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50573737
PNG
(CHEMBL4854197)
Show SMILES Cl.CCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50573744
PNG
(CHEMBL4868336)
Show SMILES Cl.CCCCCCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 3.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectromet...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113716
BindingDB Entry DOI: 10.7270/Q27W6H1P
More data for this
Ligand-Target Pair
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