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Compile Data Set for Download or QSAR

Found 205 hits of ic50 data for polymerid = 50001614,50004325,50006687   
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
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403921
PNG
(CHEMBL309664)
Show SMILES ClC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
Show InChI InChI=1S/C10H11ClO3/c11-9-7(12)2-1-3-8(9)14-10(13)6-4-5-6/h6H,1-5H2
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n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of pig liver HPPD using 4-hydroxyphenylpyruvic acid as substrate after 15 mins by spectrophotometric analysis

J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403921
PNG
(CHEMBL309664)
Show SMILES ClC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
Show InChI InChI=1S/C10H11ClO3/c11-9-7(12)2-1-3-8(9)14-10(13)6-4-5-6/h6H,1-5H2
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Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403921
PNG
(CHEMBL309664)
Show SMILES ClC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
Show InChI InChI=1S/C10H11ClO3/c11-9-7(12)2-1-3-8(9)14-10(13)6-4-5-6/h6H,1-5H2
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Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50072265
PNG
(CHEMBL3408320)
Show SMILES CCn1c2ccc(cc2n(CC)c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C16H18N4O3/c1-4-19-12-7-6-10(8-13(12)20(5-2)16(19)23)14(21)11-9-17-18(3)15(11)22/h6-9,22H,4-5H2,1-3H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis

Eur J Med Chem 92: 427-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.018
BindingDB Entry DOI: 10.7270/Q20C4XFX
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50072264
PNG
(CHEMBL3408319)
Show SMILES CCCn1c2cc(ccc2n(CC)c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C17H20N4O3/c1-4-8-21-14-9-11(6-7-13(14)20(5-2)17(21)24)15(22)12-10-18-19(3)16(12)23/h6-7,9-10,23H,4-5,8H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis

Eur J Med Chem 92: 427-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.018
BindingDB Entry DOI: 10.7270/Q20C4XFX
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50072237
PNG
(CHEMBL3408314)
Show SMILES CCn1c2cc(ccc2n(C)c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C15H16N4O3/c1-4-19-12-7-9(5-6-11(12)17(2)15(19)22)13(20)10-8-16-18(3)14(10)21/h5-8,21H,4H2,1-3H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis

Eur J Med Chem 92: 427-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.018
BindingDB Entry DOI: 10.7270/Q20C4XFX
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403929
PNG
(CHEMBL76394)
Show SMILES BrC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
Show InChI InChI=1S/C10H11BrO3/c11-9-7(12)2-1-3-8(9)14-10(13)6-4-5-6/h6H,1-5H2
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of pig liver HPPD using 4-hydroxyphenylpyruvic acid as substrate after 15 mins by spectrophotometric analysis

J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50089165
PNG
(CHEMBL23622 | Cyclopropanecarboxylic acid 3-oxo-cy...)
Show SMILES O=C(OC1=CC(=O)CCC1)C1CC1 |t:3|
Show InChI InChI=1S/C10H12O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h6-7H,1-5H2
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Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50089165
PNG
(CHEMBL23622 | Cyclopropanecarboxylic acid 3-oxo-cy...)
Show SMILES O=C(OC1=CC(=O)CCC1)C1CC1 |t:3|
Show InChI InChI=1S/C10H12O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h6-7H,1-5H2
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Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403929
PNG
(CHEMBL76394)
Show SMILES BrC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
Show InChI InChI=1S/C10H11BrO3/c11-9-7(12)2-1-3-8(9)14-10(13)6-4-5-6/h6H,1-5H2
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Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50089165
PNG
(CHEMBL23622 | Cyclopropanecarboxylic acid 3-oxo-cy...)
Show SMILES O=C(OC1=CC(=O)CCC1)C1CC1 |t:3|
Show InChI InChI=1S/C10H12O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h6-7H,1-5H2
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of pig liver HPPD using 4-hydroxyphenylpyruvic acid as substrate after 15 mins by spectrophotometric analysis

J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50089165
PNG
(CHEMBL23622 | Cyclopropanecarboxylic acid 3-oxo-cy...)
Show SMILES O=C(OC1=CC(=O)CCC1)C1CC1 |t:3|
Show InChI InChI=1S/C10H12O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h6-7H,1-5H2
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Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) taken from pig liver

Bioorg Med Chem Lett 13: 927-30 (2003)


BindingDB Entry DOI: 10.7270/Q2NP23SQ
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403929
PNG
(CHEMBL76394)
Show SMILES BrC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
Show InChI InChI=1S/C10H11BrO3/c11-9-7(12)2-1-3-8(9)14-10(13)6-4-5-6/h6H,1-5H2
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Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50089165
PNG
(CHEMBL23622 | Cyclopropanecarboxylic acid 3-oxo-cy...)
Show SMILES O=C(OC1=CC(=O)CCC1)C1CC1 |t:3|
Show InChI InChI=1S/C10H12O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h6-7H,1-5H2
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Tunghai Christian University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HPPD(4-hydroxyphenylpyruvate Dioxygenase) from pig liver using enol borate assay method

Bioorg Med Chem Lett 10: 1297-8 (2000)


BindingDB Entry DOI: 10.7270/Q2DR2TQ1
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Rattus norvegicus)		BDBM50264347
PNG
(CHEMBL4092919)
Show SMILES CC1(C)CC(=O)C(C(=O)c2ccc(cc2Cl)[N+]([O-])=O)C(=O)C1
Show InChI InChI=1S/C15H14ClNO5/c1-15(2)6-11(18)13(12(19)7-15)14(20)9-4-3-8(17(21)22)5-10(9)16/h3-5,13H,6-7H2,1-2H3
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat liver cytosol HPPD using HPP as substrate assessed as reduction in O2 consumption

J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Rattus norvegicus)		BDBM50264337
PNG
(CHEBI:38321 | MESOTRIONE)
Show SMILES CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat liver cytosol HPPD using HPP as substrate assessed as reduction in O2 consumption

J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50072269
PNG
(CHEMBL3408324)
Show SMILES CCCn1c2ccc(cc2n(CC)c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C17H20N4O3/c1-4-8-21-13-7-6-11(9-14(13)20(5-2)17(21)24)15(22)12-10-18-19(3)16(12)23/h6-7,9-10,23H,4-5,8H2,1-3H3
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n/an/a 39n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis

Eur J Med Chem 92: 427-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.018
BindingDB Entry DOI: 10.7270/Q20C4XFX
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50124366
PNG
(4-Cyclopropanecarbonyl-3-cyclopropanecarbonyloxy-5...)
Show SMILES CCOC(=O)C1CC(=O)C(C(=O)C2CC2)=C(C1)OC(=O)C1CC1 |c:15|
Show InChI InChI=1S/C17H20O6/c1-2-22-16(20)11-7-12(18)14(15(19)9-3-4-9)13(8-11)23-17(21)10-5-6-10/h9-11H,2-8H2,1H3
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Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) taken from pig liver

Bioorg Med Chem Lett 13: 927-30 (2003)


BindingDB Entry DOI: 10.7270/Q2NP23SQ
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50075319
PNG
(2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHY...)
Show SMILES [O-]C1=C(C(=[OH+])c2ccc(cc2[N+]([O-])=O)C(F)(F)F)C(=O)CCC1 |c:1|
Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,19H,1-3H2
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Tunghai University

Curated by ChEMBL


Assay Description
Inhibition of pig liver 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) enzyme

J Med Chem 45: 2222-8 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8KBG
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50075319
PNG
(2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHY...)
Show SMILES [O-]C1=C(C(=[OH+])c2ccc(cc2[N+]([O-])=O)C(F)(F)F)C(=O)CCC1 |c:1|
Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,19H,1-3H2
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Tunghai Christian University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HPPD(4-hydroxyphenylpyruvate Dioxygenase) from pig liver using enol borate assay method

Bioorg Med Chem Lett 10: 1297-8 (2000)


BindingDB Entry DOI: 10.7270/Q2DR2TQ1
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50088804
PNG
(1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethy...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2
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Tunghai Christian University

Curated by ChEMBL


Assay Description
Inhibition of 4-hydroxyphenylpyruvate dioxygenase of purified pig liver by enol-borate method

Bioorg Med Chem Lett 10: 843-5 (2000)


BindingDB Entry DOI: 10.7270/Q2S75FK2
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50075319
PNG
(2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHY...)
Show SMILES [O-]C1=C(C(=[OH+])c2ccc(cc2[N+]([O-])=O)C(F)(F)F)C(=O)CCC1 |c:1|
Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,19H,1-3H2
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Tunghai Christian University

Curated by ChEMBL


Assay Description
The inhibitory activity of the compound on pig liver 4-hydroxyphenylpyruvate dioxygenase (HPPD) was evaluated.

Bioorg Med Chem Lett 9: 551-4 (1999)


BindingDB Entry DOI: 10.7270/Q2XD10VQ
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50075319
PNG
(2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHY...)
Show SMILES [O-]C1=C(C(=[OH+])c2ccc(cc2[N+]([O-])=O)C(F)(F)F)C(=O)CCC1 |c:1|
Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,19H,1-3H2
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n/an/a 40n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50124366
PNG
(4-Cyclopropanecarbonyl-3-cyclopropanecarbonyloxy-5...)
Show SMILES CCOC(=O)C1CC(=O)C(C(=O)C2CC2)=C(C1)OC(=O)C1CC1 |c:15|
Show InChI InChI=1S/C17H20O6/c1-2-22-16(20)11-7-12(18)14(15(19)9-3-4-9)13(8-11)23-17(21)10-5-6-10/h9-11H,2-8H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Rattus norvegicus)		BDBM50088804
PNG
(1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethy...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2
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n/an/a 40n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat liver cytosol HPPD using HPP as substrate assessed as reduction in O2 consumption

J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Rattus norvegicus)		BDBM50088804
PNG
(1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethy...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat liver HPPD using 4-Hydroxyphenylpyruvate as substrate assessed as reduction in oxygen consumption preincubated for 3 mins fo...

J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50124366
PNG
(4-Cyclopropanecarbonyl-3-cyclopropanecarbonyloxy-5...)
Show SMILES CCOC(=O)C1CC(=O)C(C(=O)C2CC2)=C(C1)OC(=O)C1CC1 |c:15|
Show InChI InChI=1S/C17H20O6/c1-2-22-16(20)11-7-12(18)14(15(19)9-3-4-9)13(8-11)23-17(21)10-5-6-10/h9-11H,2-8H2,1H3
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Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50075319
PNG
(2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHY...)
Show SMILES [O-]C1=C(C(=[OH+])c2ccc(cc2[N+]([O-])=O)C(F)(F)F)C(=O)CCC1 |c:1|
Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,19H,1-3H2
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Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50072270
PNG
(CHEMBL3408325)
Show SMILES CCCn1c2ccc(cc2n(CCC)c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C18H22N4O3/c1-4-8-21-14-7-6-12(10-15(14)22(9-5-2)18(21)25)16(23)13-11-19-20(3)17(13)24/h6-7,10-11,24H,4-5,8-9H2,1-3H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis

Eur J Med Chem 92: 427-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.018
BindingDB Entry DOI: 10.7270/Q20C4XFX
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50075318
PNG
(2-(2-Chloro-4-methanesulfonyl-benzoyl)-3-hydroxy-c...)
Show SMILES CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
Show InChI InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
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Tunghai Christian University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound on pig liver 4-hydroxyphenylpyruvate dioxygenase (HPPD) was evaluated

Bioorg Med Chem Lett 9: 551-4 (1999)


BindingDB Entry DOI: 10.7270/Q2XD10VQ
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50075318
PNG
(2-(2-Chloro-4-methanesulfonyl-benzoyl)-3-hydroxy-c...)
Show SMILES CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
Show InChI InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
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n/an/a 45n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50536974
PNG
(CHEMBL4533679)
Show SMILES OC1=C(C(=O)c2cccc(OCc3ccc(Br)cc3)c2[N+]([O-])=O)C(=O)CCC1 |c:1|
Show InChI InChI=1S/C20H16BrNO6/c21-13-9-7-12(8-10-13)11-28-17-6-1-3-14(19(17)22(26)27)20(25)18-15(23)4-2-5-16(18)24/h1,3,6-10,23H,2,4-5,11H2
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPPD expressed in Escherichia coli BL21 (DE3) assessed as effect on maleylacetoacetate formation incubated for 10 min...

Eur J Med Chem 166: 22-31 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.032
BindingDB Entry DOI: 10.7270/Q2T72MZ7
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50075318
PNG
(2-(2-Chloro-4-methanesulfonyl-benzoyl)-3-hydroxy-c...)
Show SMILES CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
Show InChI InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
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Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50072230
PNG
(CHEMBL3408157)
Show SMILES CCCn1c2cc(ccc2n(C)c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C16H18N4O3/c1-4-7-20-13-8-10(5-6-12(13)18(2)16(20)23)14(21)11-9-17-19(3)15(11)22/h5-6,8-9,22H,4,7H2,1-3H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis

Eur J Med Chem 92: 427-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.018
BindingDB Entry DOI: 10.7270/Q20C4XFX
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50072236
PNG
(CHEMBL3408313)
Show SMILES CC(C)n1c2cc(ccc2n(C)c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C16H18N4O3/c1-9(2)20-13-7-10(5-6-12(13)18(3)16(20)23)14(21)11-8-17-19(4)15(11)22/h5-9,22H,1-4H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis

Eur J Med Chem 92: 427-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.018
BindingDB Entry DOI: 10.7270/Q20C4XFX
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50536949
PNG
(CHEMBL4526579)
Show SMILES OC1=C(C(=O)c2cccc(OCc3ccc(Cl)cc3Cl)c2[N+]([O-])=O)C(=O)CCC1 |c:1|
Show InChI InChI=1S/C20H15Cl2NO6/c21-12-8-7-11(14(22)9-12)10-29-17-6-1-3-13(19(17)23(27)28)20(26)18-15(24)4-2-5-16(18)25/h1,3,6-9,24H,2,4-5,10H2
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPPD expressed in Escherichia coli BL21 (DE3) assessed as effect on maleylacetoacetate formation incubated for 10 min...

Eur J Med Chem 166: 22-31 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.032
BindingDB Entry DOI: 10.7270/Q2T72MZ7
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50072266
PNG
(CHEMBL3408321)
Show SMILES CCn1c2ccc(cc2n(C(C)C)c1=O)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C17H20N4O3/c1-5-20-13-7-6-11(8-14(13)21(10(2)3)17(20)24)15(22)12-9-18-19(4)16(12)23/h6-10,23H,5H2,1-4H3
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n/an/a 64n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis

Eur J Med Chem 92: 427-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.018
BindingDB Entry DOI: 10.7270/Q20C4XFX
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50072223
PNG
(CHEMBL3408156)
Show SMILES CCC(=O)C(C(C)=O)C(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO5/c1-3-11(20)12(7(2)19)13(21)9-5-4-8(14(15,16)17)6-10(9)18(22)23/h4-6,12H,3H2,1-2H3
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n/an/a 68n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis

Eur J Med Chem 92: 427-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.018
BindingDB Entry DOI: 10.7270/Q20C4XFX
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50536950
PNG
(CHEMBL4564855)
Show SMILES OC1=C(C(=O)c2cccc(OCc3ccc(Br)cc3F)c2[N+]([O-])=O)C(=O)CCC1 |c:1|
Show InChI InChI=1S/C20H15BrFNO6/c21-12-8-7-11(14(22)9-12)10-29-17-6-1-3-13(19(17)23(27)28)20(26)18-15(24)4-2-5-16(18)25/h1,3,6-9,24H,2,4-5,10H2
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPPD expressed in Escherichia coli BL21 (DE3) assessed as effect on maleylacetoacetate formation incubated for 10 min...

Eur J Med Chem 166: 22-31 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.032
BindingDB Entry DOI: 10.7270/Q2T72MZ7
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50536973
PNG
(CHEMBL4582009)
Show SMILES Cc1cc(C)cc(COc2cccc(C(=O)C3=C(O)CCCC3=O)c2[N+]([O-])=O)c1 |c:16|
Show InChI InChI=1S/C22H21NO6/c1-13-9-14(2)11-15(10-13)12-29-19-8-3-5-16(21(19)23(27)28)22(26)20-17(24)6-4-7-18(20)25/h3,5,8-11,24H,4,6-7,12H2,1-2H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPPD expressed in Escherichia coli BL21 (DE3) assessed as effect on maleylacetoacetate formation incubated for 10 min...

Eur J Med Chem 166: 22-31 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.032
BindingDB Entry DOI: 10.7270/Q2T72MZ7
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403933
PNG
(CHEMBL72081)
Show SMILES O=C(OC1=CC(=O)CC1)C1CC1 |t:3|
Show InChI InChI=1S/C9H10O3/c10-7-3-4-8(5-7)12-9(11)6-1-2-6/h5-6H,1-4H2
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of pig liver HPPD using 4-hydroxyphenylpyruvic acid as substrate after 15 mins by spectrophotometric analysis

J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403933
PNG
(CHEMBL72081)
Show SMILES O=C(OC1=CC(=O)CC1)C1CC1 |t:3|
Show InChI InChI=1S/C9H10O3/c10-7-3-4-8(5-7)12-9(11)6-1-2-6/h5-6H,1-4H2
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n/an/a 70n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50536946
PNG
(CHEMBL4540372)
Show SMILES Cc1ccc(COc2cccc(C(=O)C3=C(O)CCCC3=O)c2[N+]([O-])=O)cc1 |c:14|
Show InChI InChI=1S/C21H19NO6/c1-13-8-10-14(11-9-13)12-28-18-7-2-4-15(20(18)22(26)27)21(25)19-16(23)5-3-6-17(19)24/h2,4,7-11,23H,3,5-6,12H2,1H3
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPPD expressed in Escherichia coli BL21 (DE3) assessed as effect on maleylacetoacetate formation incubated for 10 min...

Eur J Med Chem 166: 22-31 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.032
BindingDB Entry DOI: 10.7270/Q2T72MZ7
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50536952
PNG
(CHEMBL4571726)
Show SMILES CC(C)c1ccc(COc2cccc(C(=O)C3=C(O)CCCC3=O)c2[N+]([O-])=O)cc1 |c:16|
Show InChI InChI=1S/C23H23NO6/c1-14(2)16-11-9-15(10-12-16)13-30-20-8-3-5-17(22(20)24(28)29)23(27)21-18(25)6-4-7-19(21)26/h3,5,8-12,14,25H,4,6-7,13H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPPD expressed in Escherichia coli BL21 (DE3) assessed as effect on maleylacetoacetate formation incubated for 10 min...

Eur J Med Chem 166: 22-31 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.032
BindingDB Entry DOI: 10.7270/Q2T72MZ7
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403933
PNG
(CHEMBL72081)
Show SMILES O=C(OC1=CC(=O)CC1)C1CC1 |t:3|
Show InChI InChI=1S/C9H10O3/c10-7-3-4-8(5-7)12-9(11)6-1-2-6/h5-6H,1-4H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 71n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50072271
PNG
(CHEMBL3408326)
Show SMILES CCCn1c2ccc(cc2n(c1=O)C(C)(C)C)C(=O)c1cnn(C)c1O
Show InChI InChI=1S/C19H24N4O3/c1-6-9-22-14-8-7-12(16(24)13-11-20-21(5)17(13)25)10-15(14)23(18(22)26)19(2,3)4/h7-8,10-11,25H,6,9H2,1-5H3
PDB

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Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis

Eur J Med Chem 92: 427-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.018
BindingDB Entry DOI: 10.7270/Q20C4XFX
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50536967
PNG
(CHEMBL4567229)
Show SMILES OC1=C(C(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)C(=O)CCC1 |c:1|
Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,19H,1-3H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPPD expressed in Escherichia coli BL21 (DE3) assessed as effect on maleylacetoacetate formation incubated for 10 min...

Eur J Med Chem 166: 22-31 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.032
BindingDB Entry DOI: 10.7270/Q2T72MZ7
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403928
PNG
(CHEMBL307048)
Show SMILES CCOC(=O)C1CC(=O)C=C(C1)OC(=O)C1CC1 |c:9|
Show InChI InChI=1S/C13H16O5/c1-2-17-12(15)9-5-10(14)7-11(6-9)18-13(16)8-3-4-8/h7-9H,2-6H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 89n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)		BDBM50403928
PNG
(CHEMBL307048)
Show SMILES CCOC(=O)C1CC(=O)C=C(C1)OC(=O)C1CC1 |c:9|
Show InChI InChI=1S/C13H16O5/c1-2-17-12(15)9-5-10(14)7-11(6-9)18-13(16)8-3-4-8/h7-9H,2-6H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 90n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver

Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50536966
PNG
(CHEMBL4554387)
Show SMILES OC1=C(C(=O)c2cccc(OCc3ccc(Br)cc3)c2)C(=O)CCC1 |c:1|
Show InChI InChI=1S/C20H17BrO4/c21-15-9-7-13(8-10-15)12-25-16-4-1-3-14(11-16)20(24)19-17(22)5-2-6-18(19)23/h1,3-4,7-11,22H,2,5-6,12H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 91n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPPD expressed in Escherichia coli BL21 (DE3) assessed as effect on maleylacetoacetate formation incubated for 10 min...

Eur J Med Chem 166: 22-31 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.032
BindingDB Entry DOI: 10.7270/Q2T72MZ7
More data for this
Ligand-Target Pair
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