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PubMed code 28032764

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200114
PNG
(CHEMBL3920498)
Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N4O/c1-14(25)21-18-8-10-19(11-9-18)24-13-20(22-23-24)17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H,21,25)
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 2.86E+4n/an/an/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of OGT (unknown origin) using variable UDP-GlcNAc levels and fixed CKII peptide level by UDP-Glo glycosyltransferase assay

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200114
PNG
(CHEMBL3920498)
Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N4O/c1-14(25)21-18-8-10-19(11-9-18)24-13-20(22-23-24)17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H,21,25)
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 5.98E+4n/an/an/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of OGT (unknown origin) using fixed UDP-GlcNAc levels and variable CKII peptide level by UDP-Glo glycosyltransferase assay

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200111
PNG
(CHEMBL3981566)
Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-16(27)23-20-11-13-21(14-12-20)26-15-22(24-25-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,27)
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 9.20E+4n/an/an/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of OGT (unknown origin) using variable UDP-GlcNAc levels and fixed CKII peptide level by UDP-Glo glycosyltransferase assay

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200111
PNG
(CHEMBL3981566)
Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-16(27)23-20-11-13-21(14-12-20)26-15-22(24-25-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,27)
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 3.10E+5n/an/an/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of OGT (unknown origin) using fixed UDP-GlcNAc levels and variable CKII peptide level by UDP-Glo glycosyltransferase assay

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50168000
PNG
(3H-Benzooxazol-2-one | CHEMBL280323 | benzo[d]oxaz...)
Show SMILES O=c1[nH]c2ccccc2o1
Show InChI InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200114
PNG
(CHEMBL3920498)
Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N4O/c1-14(25)21-18-8-10-19(11-9-18)24-13-20(22-23-24)17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H,21,25)
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n/an/a 6.67E+4n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200110
PNG
(CHEMBL3890166)
Show SMILES ClCC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H15ClN4O/c21-12-20(26)22-17-7-9-18(10-8-17)25-13-19(23-24-25)16-6-5-14-3-1-2-4-15(14)11-16/h1-11,13H,12H2,(H,22,26)
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n/an/a 7.17E+4n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200112
PNG
(CHEMBL3895218)
Show SMILES OC(c1cn(nn1)-c1ccc(NC(=O)CCl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19ClN4O2/c24-15-22(29)25-19-11-13-20(14-12-19)28-16-21(26-27-28)23(30,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,16,30H,15H2,(H,25,29)
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n/an/a 8.93E+4n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200119
PNG
(CHEMBL3896658)
Show SMILES ClCC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H17ClN4O/c23-14-22(28)24-19-10-12-20(13-11-19)27-15-21(25-26-27)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,15H,14H2,(H,24,28)
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n/an/a 9.12E+4n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200111
PNG
(CHEMBL3981566)
Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-16(27)23-20-11-13-21(14-12-20)26-15-22(24-25-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,27)
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n/an/a 1.39E+5n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2


(Homo sapiens (Human))		BDBM50200111
PNG
(CHEMBL3981566)
Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-16(27)23-20-11-13-21(14-12-20)26-15-22(24-25-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,27)
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n/an/a 4.30E+5n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ppGalNAcT2 (unknown origin) in presence of OGT, EA2 and UDP-GlcNAc incubated for 25 mins at 37 degC

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2


(Homo sapiens (Human))		BDBM50200114
PNG
(CHEMBL3920498)
Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N4O/c1-14(25)21-18-8-10-19(11-9-18)24-13-20(22-23-24)17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H,21,25)
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n/an/a 6.96E+5n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ppGalNAcT2 (unknown origin) in presence of OGT, EA2 and UDP-GlcNAc incubated for 25 mins at 37 degC

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200117
PNG
(CHEMBL3969655)
Show SMILES ICC(=O)Nc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C8H7IN4O/c9-5-8(14)11-6-1-3-7(4-2-6)12-13-10/h1-4H,5H2,(H,11,14)
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n/an/a 8.65E+5n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50027776
PNG
(4-Ethynyl Biphenyl | 4-Ethynyl-Biphenyl | CHEMBL37...)
Show SMILES C#Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200118
PNG
(CHEMBL3924189)
Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N4O2/c1-17(28)24-20-12-14-21(15-13-20)27-16-22(25-26-27)23(29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,29H,1H3,(H,24,28)
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200116
PNG
(CHEMBL3933877)
Show SMILES OC(C#C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H
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n/an/a 1.96E+6n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200113
PNG
(CHEMBL3949890)
Show SMILES ClCC(=O)Nc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C8H7ClN4O/c9-5-8(14)11-6-1-3-7(4-2-6)12-13-10/h1-4H,5H2,(H,11,14)
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n/an/a 3.97E+6n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50200115
PNG
(CHEMBL3892504)
Show SMILES CC(=O)Nc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C8H8N4O/c1-6(13)10-7-2-4-8(5-3-7)11-12-9/h2-5H,1H3,(H,10,13)
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n/an/a>4.00E+6n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit


(Homo sapiens (Human))		BDBM50027783
PNG
(2-Ethynyl Naphtalene | CHEMBL1743361)
Show SMILES C#Cc1ccc2ccccc2c1
Show InChI InChI=1S/C12H8/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h1,3-9H
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n/an/a>4.00E+6n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method

J Med Chem 60: 263-272 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01237
BindingDB Entry DOI: 10.7270/Q20G3N47
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%