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Compile Data Set for Download or QSAR

Found 9 hits from Daegu University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM50327038
PNG
((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Show SMILES CC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/s2
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10n/an/an/an/an/an/an/an/a



Daegu University

Curated by ChEMBL


Assay Description
Inhibition of human O-GlcNAcase after 5 mins by Lineweaver-Burk plot analysis


Bioorg Med Chem 18: 7058-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.010
BindingDB Entry DOI: 10.7270/Q25D8S2R
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM50327039
PNG
((3aR,5R,6S,7R,7aR)-5-(Hydroxymethyl)-2-methyl-5,6,...)
Show SMILES CC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)[Se]1
Show InChI InChI=1/C8H13NO4Se/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/s2
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700n/an/an/an/an/an/an/an/a



Daegu University

Curated by ChEMBL


Assay Description
Inhibition of human O-GlcNAcase after 5 mins by Lineweaver-Burk plot analysis


Bioorg Med Chem 18: 7058-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.010
BindingDB Entry DOI: 10.7270/Q25D8S2R
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daegu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG expressed in HEK293 cells at -80 mV holding potential measured for 9 mins by Qpatch clamp method


Bioorg Med Chem Lett 27: 4889-4892 (2017)

More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50262486
PNG
(CHEMBL2354678)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)C(CC(C)C)NC=O
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26?,27-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Daegu University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 27: 4889-4892 (2017)

More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50262488
PNG
(CHEMBL4067236)
Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)c(Cc3c(O)cc(O)c(C(=O)CCc4ccc(O)cc4)c3O)c2O)cc1
Show InChI InChI=1S/C31H28O10/c32-18-7-1-16(2-8-18)5-11-22(34)28-26(38)14-24(36)20(30(28)40)13-21-25(37)15-27(39)29(31(21)41)23(35)12-6-17-3-9-19(33)10-4-17/h1-4,7-10,14-15,32-33,36-41H,5-6,11-13H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Daegu University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 27: 4889-4892 (2017)

More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50262489
PNG
(CHEMBL4094684)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c(Cc3c(O)cc(O)c(C(=O)CCc4ccc(O)cc4)c3O)c(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C37H38O15/c38-16-29-34(48)35(49)36(50)37(52-29)51-28-15-26(44)22(33(47)31(28)24(42)12-6-18-3-9-20(40)10-4-18)13-21-25(43)14-27(45)30(32(21)46)23(41)11-5-17-1-7-19(39)8-2-17/h1-4,7-10,14-15,29,34-40,43-50H,5-6,11-13,16H2/t29-,34-,35+,36-,37-/s2
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n/an/a 1.47E+4n/an/an/an/an/an/a



Daegu University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 27: 4889-4892 (2017)

More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM23446
PNG
(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)
Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
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n/an/a 5.04E+4n/an/an/an/an/an/a



Daegu University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 27: 4889-4892 (2017)

More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50262490
PNG
(CHEMBL4078162)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c(Cc3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(C(=O)CCc4ccc(O)cc4)c3O)c(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C43H48O20/c44-16-30-36(54)38(56)40(58)42(62-30)60-28-14-26(50)22(34(52)32(28)24(48)11-5-18-1-7-20(46)8-2-18)13-23-27(51)15-29(61-43-41(59)39(57)37(55)31(17-45)63-43)33(35(23)53)25(49)12-6-19-3-9-21(47)10-4-19/h1-4,7-10,14-15,30-31,36-47,50-59H,5-6,11-13,16-17H2/t30-,31-,36-,37-,38+,39+,40-,41-,42-,43-/s2
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n/an/a 2.57E+5n/an/an/an/an/an/a



Daegu University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 27: 4889-4892 (2017)

More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Daegu University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 27: 4889-4892 (2017)

More data for this
Ligand-Target Pair