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Compile Data Set for Download or QSAR

Found 213 hits with Last Name = 'oseki' 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
Alpha-mannosidase 2


(Rattus norvegicus)
BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5?/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)
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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<5.00E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)
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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<5.00E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)
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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<5.00E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)
BDBM50031480
PNG
((2R,3R,4R)-2-Hydroxymethyl-1-methyl-pyrrolidine-3,...)
Show SMILES CN1C[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5-,6-/m1/s1
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5.10E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)
BDBM50031484
PNG
((2R,3R,4R)-1-Butyl-2-hydroxymethyl-pyrrolidine-3,4...)
Show SMILES CCCCN1C[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C9H19NO3/c1-2-3-4-10-5-8(12)9(13)7(10)6-11/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/m1/s1
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1.20E+5n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(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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4.10E+5n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Tested for competitive inhibition of golgi alpha mannosidase II


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 1.56n/an/an/an/an/an/a



Miyagi Cancer Center Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Influenza A virus A/PR/8/34(H1N1) neuraminidase by fluorometric method using 4MU-NeuAc substrate


Antimicrob Agents Chemother 52: 3484-91 (2008)


Article DOI: 10.1128/AAC.00344-08
BindingDB Entry DOI: 10.7270/Q2BR8T42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Aichi/2/1968 H3N2))
BDBM4994
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Miyagi Cancer Center Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human influenza A virus A/Aichi/2/1968(H3N2) neuraminidase by fluorometric method using 4MU-NeuAc substrate


Antimicrob Agents Chemother 52: 3484-91 (2008)


Article DOI: 10.1128/AAC.00344-08
BindingDB Entry DOI: 10.7270/Q2BR8T42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Aichi/2/1968 H3N2))
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 2.66n/an/an/an/an/an/a



Miyagi Cancer Center Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human influenza A virus A/Aichi/2/1968(H3N2) neuraminidase by fluorometric method using 4MU-NeuAc substrate


Antimicrob Agents Chemother 52: 3484-91 (2008)


Article DOI: 10.1128/AAC.00344-08
BindingDB Entry DOI: 10.7270/Q2BR8T42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM4994
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Miyagi Cancer Center Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Influenza A virus A/PR/8/34(H1N1) neuraminidase by fluorometric method using 4MU-NeuAc substrate


Antimicrob Agents Chemother 52: 3484-91 (2008)


Article DOI: 10.1128/AAC.00344-08
BindingDB Entry DOI: 10.7270/Q2BR8T42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
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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n/an/a 40n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Sucrase in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
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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n/an/a 40n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Sucrase in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(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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n/an/a 120n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Glycosidases (maltase) in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method maltase


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
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 210n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Sucrase in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
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 300n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Glycosidases (isomaltase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
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 360n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Glycosidases (maltase) in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50324535
PNG
(3-{[9-(Dimethylamino)nonanoyl](hydroxy)amino}propa...)
Show SMILES CN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-8-6-4-3-5-7-9-13(17)16(20)12-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50324529
PNG
(3-({9-[Benzyl(methyl)]amino}nonanoyl(hydroxy)amino...)
Show SMILES CN(CCCCCCCCC(=O)N(O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C20H32N2O4/c1-21(17-18-11-7-6-8-12-18)15-10-5-3-2-4-9-13-19(23)22(26)16-14-20(24)25/h6-8,11-12,26H,2-5,9-10,13-17H2,1H3,(H,24,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(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 1.30E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Tested for competitive inhibition of endoplasmic reticulum alpha-glucosidase II.


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50292389
PNG
(3-epi-fagomine | 3-epifagomine | CHEMBL456583)
Show SMILES OC[C@H]1NCC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Tested for competitive inhibition of bovine liver beta-galactosidase


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50324534
PNG
(3-{[8-(Dimethylamino)octanoyl](hydroxy)amino}propa...)
Show SMILES CN(C)CCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C13H26N2O4/c1-14(2)10-7-5-3-4-6-8-12(16)15(19)11-9-13(17)18/h19H,3-11H2,1-2H3,(H,17,18)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50324536
PNG
(3-{[10-(Dimethylamino)decanoyl](hydroxy)amino}prop...)
Show SMILES CN(C)CCCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C15H30N2O4/c1-16(2)12-9-7-5-3-4-6-8-10-14(18)17(21)13-11-15(19)20/h21H,3-13H2,1-2H3,(H,19,20)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346534
PNG
(CHEMBL1797705)
Show SMILES N[C@H]1C[C@@H]1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
Show InChI InChI=1S/C27H29N3O3/c28-24-17-23(24)21-12-7-13-22(16-21)33-15-14-25(30-26(31)20-10-5-2-6-11-20)27(32)29-18-19-8-3-1-4-9-19/h1-13,16,23-25H,14-15,17-18,28H2,(H,29,32)(H,30,31)/t23-,24+,25+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of partially purified LSD1 using histone H3K4Me2 peptide substrate by peroxidase-coupled assay


Bioorg Med Chem 19: 3702-8 (2011)


Article DOI: 10.1016/j.bmc.2010.12.024
BindingDB Entry DOI: 10.7270/Q29K4BKJ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50324530
PNG
(CHEMBL1215590 | tert-Butyl 3-({Hydroxy[9-(methylam...)
Show SMILES CNCCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C13H26N2O4/c1-14-10-7-5-3-2-4-6-8-12(16)15(19)11-9-13(17)18/h14,19H,2-11H2,1H3,(H,17,18)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Rattus norvegicus)
BDBM50292389
PNG
(3-epi-fagomine | 3-epifagomine | CHEMBL456583)
Show SMILES OC[C@H]1NCC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Tested for competitive inhibition of rat intestinal lactase


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50324527
PNG
(4-[(8-Dimethylaminooctyl)-(hydroxyl)amino]-4-oxobu...)
Show SMILES CN(C)CCCCCCCCN(O)C(=O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-7-5-3-4-6-8-12-16(20)13(17)9-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50324529
PNG
(3-({9-[Benzyl(methyl)]amino}nonanoyl(hydroxy)amino...)
Show SMILES CN(CCCCCCCCC(=O)N(O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C20H32N2O4/c1-21(17-18-11-7-6-8-12-18)15-10-5-3-2-4-9-13-19(23)22(26)16-14-20(24)25/h6-8,11-12,26H,2-5,9-10,13-17H2,1H3,(H,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(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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n/an/a 2.10E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Glycosidases (maltase) in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method maltase


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
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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n/an/a 2.70E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Glycosidases (isomaltase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50324533
PNG
(3-{[7-(Dimethylamino)heptanoyl](hydroxy)amino}prop...)
Show SMILES CN(C)CCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C12H24N2O4/c1-13(2)9-6-4-3-5-7-11(15)14(18)10-8-12(16)17/h18H,3-10H2,1-2H3,(H,16,17)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
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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n/an/a 2.70E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Glycosidases (isomaltase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50324535
PNG
(3-{[9-(Dimethylamino)nonanoyl](hydroxy)amino}propa...)
Show SMILES CN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-8-6-4-3-5-7-9-13(17)16(20)12-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50292389
PNG
(3-epi-fagomine | 3-epifagomine | CHEMBL456583)
Show SMILES OC[C@H]1NCC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian cytosolic beta-galactosidase was determined in bovine liver


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50324528
PNG
(3-({9-[Butyl(methyl)]amino}nonanoyl(hydroxy)amino)...)
Show SMILES CCCCN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C17H34N2O4/c1-3-4-13-18(2)14-10-8-6-5-7-9-11-16(20)19(23)15-12-17(21)22/h23H,3-15H2,1-2H3,(H,21,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50037814
PNG
(2,5-Bis-hydroxymethyl-pyrrolidine-3,4-diol | CHEMB...)
Show SMILES OCC1NC(CO)C(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian cytosolic beta-galactosidase was determined in bovine liver


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Rattus norvegicus)
BDBM50031481
PNG
((2R,3R,4R,5R)-2,5-Bis-hydroxymethyl-pyrrolidine-3,...)
Show SMILES OC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Glycosidases (lactase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Beta-galactosidase


(Rattus norvegicus)
BDBM50037814
PNG
(2,5-Bis-hydroxymethyl-pyrrolidine-3,4-diol | CHEMB...)
Show SMILES OCC1NC(CO)C(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian lactase beta-galactosidase was determined in rat intestine


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Beta-galactosidase


(Rattus norvegicus)
BDBM50292389
PNG
(3-epi-fagomine | 3-epifagomine | CHEMBL456583)
Show SMILES OC[C@H]1NCC[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian lactase beta-galactosidase was determined in rat intestine


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50324530
PNG
(CHEMBL1215590 | tert-Butyl 3-({Hydroxy[9-(methylam...)
Show SMILES CNCCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C13H26N2O4/c1-14-10-7-5-3-2-4-6-8-12(16)15(19)11-9-13(17)18/h14,19H,2-11H2,1H3,(H,17,18)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Rattus norvegicus)
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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n/an/a 4.40E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Glycosidases (lactase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Trehalase


(Rattus norvegicus)
BDBM50407255
PNG
(CHEMBL2114189)
Show SMILES CC[C@H]1NC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5-,6-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian trehalase was determined in porcine kidney


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50324537
PNG
(3-{[11-(Dimethylamino)undecanoyl](hydroxy)amino}pr...)
Show SMILES CN(C)CCCCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C16H32N2O4/c1-17(2)13-10-8-6-4-3-5-7-9-11-15(19)18(22)14-12-16(20)21/h22H,3-14H2,1-2H3,(H,20,21)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50324536
PNG
(3-{[10-(Dimethylamino)decanoyl](hydroxy)amino}prop...)
Show SMILES CN(C)CCCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C15H30N2O4/c1-16(2)12-9-7-5-3-4-6-8-10-14(18)17(21)13-11-15(19)20/h21H,3-13H2,1-2H3,(H,19,20)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral alpha-glucosidase C


(Mus musculus)
BDBM50407255
PNG
(CHEMBL2114189)
Show SMILES CC[C@H]1NC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5-,6-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-glucosidase (isomaltase) was determined in rat intestine


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50324534
PNG
(3-{[8-(Dimethylamino)octanoyl](hydroxy)amino}propa...)
Show SMILES CN(C)CCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C13H26N2O4/c1-14(2)10-7-5-3-4-6-8-12(16)15(19)11-9-13(17)18/h19H,3-11H2,1-2H3,(H,17,18)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay


J Med Chem 53: 5629-38 (2010)


Article DOI: 10.1021/jm1003655
BindingDB Entry DOI: 10.7270/Q2N87B02
More data for this
Ligand-Target Pair
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