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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'vicentini' and Initial = 'cb'   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM85462
PNG
(Pyrazolooxadiazinone, 2c)
Show SMILES Cc1nn(c2NC(=O)ONc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H9ClN4O2/c1-6-9-10(13-11(17)18-15-9)16(14-6)8-4-2-7(12)3-5-8/h2-5,15H,1H3,(H,13,17)
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8.70E+4 -23.2n/an/an/an/an/an/a25



Università di Ferrara



Assay Description
The enzyme were assayed spectrophotometrically at 410nm with p-nitroanilide substrates at 25 C.


J Enzym Inhib 16: 15-34 (2001)


Article DOI: 10.1080/14756360109162352
BindingDB Entry DOI: 10.7270/Q2XP73FM
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM85460
PNG
(Pyrazolooxadiazinone, 2a)
Show SMILES Cc1nn(c2NC(=O)ONc12)-c1ccccc1
Show InChI InChI=1S/C11H10N4O2/c1-7-9-10(12-11(16)17-14-9)15(13-7)8-5-3-2-4-6-8/h2-6,14H,1H3,(H,12,16)
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9.40E+4 -23.0n/an/an/an/an/an/a25



Università di Ferrara



Assay Description
The enzyme were assayed spectrophotometrically at 410nm with p-nitroanilide substrates at 25 C.


J Enzym Inhib 16: 15-34 (2001)


Article DOI: 10.1080/14756360109162352
BindingDB Entry DOI: 10.7270/Q2XP73FM
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM85466
PNG
(Pyrazolooxadiazinone, 2l)
Show SMILES CCCCc1nn(C)c2NC(=O)ONc12
Show InChI InChI=1S/C9H14N4O2/c1-3-4-5-6-7-8(13(2)11-6)10-9(14)15-12-7/h12H,3-5H2,1-2H3,(H,10,14)
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1.13E+5 -22.5n/an/an/an/an/an/a25



Università di Ferrara



Assay Description
The enzyme were assayed spectrophotometrically at 410nm with p-nitroanilide substrates at 25 C.


J Enzym Inhib 16: 15-34 (2001)


Article DOI: 10.1080/14756360109162352
BindingDB Entry DOI: 10.7270/Q2XP73FM
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM85465
PNG
(Pyrazolooxadiazinone, 2j)
Show SMILES CCc1nn(C)c2NC(=O)ONc12
Show InChI InChI=1S/C7H10N4O2/c1-3-4-5-6(11(2)9-4)8-7(12)13-10-5/h10H,3H2,1-2H3,(H,8,12)
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1.99E+5 -21.1n/an/an/an/an/an/a25



Università di Ferrara



Assay Description
The enzyme were assayed spectrophotometrically at 410nm with p-nitroanilide substrates at 25 C.


J Enzym Inhib 16: 15-34 (2001)


Article DOI: 10.1080/14756360109162352
BindingDB Entry DOI: 10.7270/Q2XP73FM
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM85461
PNG
(Pyrazolooxadiazinone, 2b)
Show SMILES Cc1nn(C)c2NC(=O)ONc12
Show InChI InChI=1S/C6H8N4O2/c1-3-4-5(10(2)8-3)7-6(11)12-9-4/h9H,1-2H3,(H,7,11)
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2.07E+5 -21.0n/an/an/an/an/an/a25



Università di Ferrara



Assay Description
The enzyme were assayed spectrophotometrically at 410nm with p-nitroanilide substrates at 25 C.


J Enzym Inhib 16: 15-34 (2001)


Article DOI: 10.1080/14756360109162352
BindingDB Entry DOI: 10.7270/Q2XP73FM
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM85463
PNG
(Pyrazolooxadiazinone, 2g)
Show SMILES Cc1nn(c2NC(=O)ONc12)-c1ccccc1N(=O)=O
Show InChI InChI=1S/C11H9N5O4/c1-6-9-10(12-11(17)20-14-9)15(13-6)7-4-2-3-5-8(7)16(18)19/h2-5,14H,1H3,(H,12,17)
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>8.40E+6>-11.8n/an/an/an/an/an/a25



Università di Ferrara



Assay Description
The enzyme were assayed spectrophotometrically at 410nm with p-nitroanilide substrates at 25 C.


J Enzym Inhib 16: 15-34 (2001)


Article DOI: 10.1080/14756360109162352
BindingDB Entry DOI: 10.7270/Q2XP73FM
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM85464
PNG
(Pyrazolooxadiazinone, 2h)
Show SMILES Cc1nn(c2NC(=O)ONc12)-c1cccc(c1)N(=O)=O
Show InChI InChI=1S/C11H9N5O4/c1-6-9-10(12-11(17)20-14-9)15(13-6)7-3-2-4-8(5-7)16(18)19/h2-5,14H,1H3,(H,12,17)
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>8.40E+6>-11.8n/an/an/an/an/an/a25



Università di Ferrara



Assay Description
The enzyme were assayed spectrophotometrically at 410nm with p-nitroanilide substrates at 25 C.


J Enzym Inhib 16: 15-34 (2001)


Article DOI: 10.1080/14756360109162352
BindingDB Entry DOI: 10.7270/Q2XP73FM
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487030
PNG
(CHEBI:6407 | LENACIL)
Show SMILES O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1
Show InChI InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
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n/an/a 80n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487023
PNG
(CHEBI:5705 | HEXAZINONE)
Show SMILES CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C
Show InChI InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487028
PNG
(CHEMBL2252726)
Show SMILES Cc1cc2[nH]c(=O)s\c(=N\C3CCCCC3)n2n1
Show InChI InChI=1S/C12H16N4OS/c1-8-7-10-14-12(17)18-11(16(10)15-8)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,14,17)/b13-11+
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n/an/a 210n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487027
PNG
(CHEBI:116509 | DCMU | Diuron)
Show SMILES CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
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n/an/a 270n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487021
PNG
(CHEMBL2252603)
Show SMILES Cc1cc2[nH]c(=O)n(C3CCCCC3)c(=O)n2n1
Show InChI InChI=1S/C12H16N4O2/c1-8-7-10-13-11(17)15(12(18)16(10)14-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,17)
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n/an/a 320n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487019
PNG
(CHEMBL2252606)
Show SMILES CCCC\N=c1\sc(=O)[nH]c2cc(C)nn12
Show InChI InChI=1S/C10H14N4OS/c1-3-4-5-11-9-14-8(6-7(2)13-14)12-10(15)16-9/h6H,3-5H2,1-2H3,(H,12,15)/b11-9+
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n/an/a 570n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487018
PNG
(CHEMBL2252597)
Show SMILES S=c1sc(NC2CCCCC2)nc2[nH]ncc12
Show InChI InChI=1S/C11H14N4S2/c16-10-8-6-12-15-9(8)14-11(17-10)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15)
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n/an/a 640n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487018
PNG
(CHEMBL2252597)
Show SMILES S=c1sc(NC2CCCCC2)nc2[nH]ncc12
Show InChI InChI=1S/C11H14N4S2/c16-10-8-6-12-15-9(8)14-11(17-10)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15)
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n/an/a 640n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486993
PNG
(CHEMBL2252599)
Show SMILES CCC(C)n1c(=O)[nH]c2cc(C)nn2c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-7(3)13-9(15)11-8-5-6(2)12-14(8)10(13)16/h5,7H,4H2,1-3H3,(H,11,15)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487025
PNG
(CHEMBL2252595)
Show SMILES CCCCNc1nc2[nH]ncc2c(=S)s1
Show InChI InChI=1S/C9H12N4S2/c1-2-3-4-10-9-12-7-6(5-11-13-7)8(14)15-9/h5H,2-4H2,1H3,(H2,10,11,12,13)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487025
PNG
(CHEMBL2252595)
Show SMILES CCCCNc1nc2[nH]ncc2c(=S)s1
Show InChI InChI=1S/C9H12N4S2/c1-2-3-4-10-9-12-7-6(5-11-13-7)8(14)15-9/h5H,2-4H2,1H3,(H2,10,11,12,13)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487015
PNG
(CHEMBL2252589)
Show SMILES FC(F)(F)c1cccc(Nc2nc3[nH]ncc3c(=S)s2)c1
Show InChI InChI=1S/C12H7F3N4S2/c13-12(14,15)6-2-1-3-7(4-6)17-11-18-9-8(5-16-19-9)10(20)21-11/h1-5H,(H2,16,17,18,19)
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n/an/a 2.78E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487015
PNG
(CHEMBL2252589)
Show SMILES FC(F)(F)c1cccc(Nc2nc3[nH]ncc3c(=S)s2)c1
Show InChI InChI=1S/C12H7F3N4S2/c13-12(14,15)6-2-1-3-7(4-6)17-11-18-9-8(5-16-19-9)10(20)21-11/h1-5H,(H2,16,17,18,19)
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n/an/a 2.78E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486987
PNG
(CHEMBL2252596)
Show SMILES S=c1sc(NCc2ccccc2)nc2[nH]ncc12
Show InChI InChI=1S/C12H10N4S2/c17-11-9-7-14-16-10(9)15-12(18-11)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16)
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n/an/a 2.84E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486987
PNG
(CHEMBL2252596)
Show SMILES S=c1sc(NCc2ccccc2)nc2[nH]ncc12
Show InChI InChI=1S/C12H10N4S2/c17-11-9-7-14-16-10(9)15-12(18-11)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16)
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n/an/a 2.84E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487020
PNG
(CHEMBL2252605)
Show SMILES CC\N=c1\sc(=O)[nH]c2cc(C)nn12
Show InChI InChI=1S/C8H10N4OS/c1-3-9-7-12-6(4-5(2)11-12)10-8(13)14-7/h4H,3H2,1-2H3,(H,10,13)/b9-7+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487000
PNG
(CHEMBL2252590)
Show SMILES Brc1ccc(Nc2nc3[nH]ncc3c(=S)s2)cc1
Show InChI InChI=1S/C11H7BrN4S2/c12-6-1-3-7(4-2-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 6.05E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487000
PNG
(CHEMBL2252590)
Show SMILES Brc1ccc(Nc2nc3[nH]ncc3c(=S)s2)cc1
Show InChI InChI=1S/C11H7BrN4S2/c12-6-1-3-7(4-2-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 6.06E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486995
PNG
(CHEMBL2252601)
Show SMILES CCCCn1c(=O)[nH]c2cc(C)nn2c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-13-9(15)11-8-6-7(2)12-14(8)10(13)16/h6H,3-5H2,1-2H3,(H,11,15)
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n/an/a 6.61E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487017
PNG
(CHEMBL2252594)
Show SMILES CCNc1nc2[nH]ncc2c(=S)s1
Show InChI InChI=1S/C7H8N4S2/c1-2-8-7-10-5-4(3-9-11-5)6(12)13-7/h3H,2H2,1H3,(H2,8,9,10,11)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487017
PNG
(CHEMBL2252594)
Show SMILES CCNc1nc2[nH]ncc2c(=S)s1
Show InChI InChI=1S/C7H8N4S2/c1-2-8-7-10-5-4(3-9-11-5)6(12)13-7/h3H,2H2,1H3,(H2,8,9,10,11)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487002
PNG
(CHEMBL2252587)
Show SMILES O=c1sc(NCc2ccccc2)nc2[nH]ncc12
Show InChI InChI=1S/C12H10N4OS/c17-11-9-7-14-16-10(9)15-12(18-11)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487002
PNG
(CHEMBL2252587)
Show SMILES O=c1sc(NCc2ccccc2)nc2[nH]ncc12
Show InChI InChI=1S/C12H10N4OS/c17-11-9-7-14-16-10(9)15-12(18-11)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486989
PNG
(CHEMBL2252592)
Show SMILES Clc1cccc(Nc2nc3[nH]ncc3c(=S)s2)c1
Show InChI InChI=1S/C11H7ClN4S2/c12-6-2-1-3-7(4-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486989
PNG
(CHEMBL2252592)
Show SMILES Clc1cccc(Nc2nc3[nH]ncc3c(=S)s2)c1
Show InChI InChI=1S/C11H7ClN4S2/c12-6-2-1-3-7(4-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487001
PNG
(CHEMBL2252725)
Show SMILES Cc1cc2[nH]c(=O)s\c(=N\Cc3ccccc3)n2n1
Show InChI InChI=1S/C13H12N4OS/c1-9-7-11-15-13(18)19-12(17(11)16-9)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18)/b14-12+
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487016
PNG
(CHEMBL2252591)
Show SMILES Clc1ccc(Nc2nc3[nH]ncc3c(=S)s2)cc1
Show InChI InChI=1S/C11H7ClN4S2/c12-6-1-3-7(4-2-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 2.13E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487016
PNG
(CHEMBL2252591)
Show SMILES Clc1ccc(Nc2nc3[nH]ncc3c(=S)s2)cc1
Show InChI InChI=1S/C11H7ClN4S2/c12-6-1-3-7(4-2-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 2.13E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487024
PNG
(CHEMBL2252580)
Show SMILES Brc1ccc(Nc2nc3[nH]ncc3c(=O)s2)cc1
Show InChI InChI=1S/C11H7BrN4OS/c12-6-1-3-7(4-2-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 2.85E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487024
PNG
(CHEMBL2252580)
Show SMILES Brc1ccc(Nc2nc3[nH]ncc3c(=O)s2)cc1
Show InChI InChI=1S/C11H7BrN4OS/c12-6-1-3-7(4-2-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 2.85E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486999
PNG
(CHEMBL2252600)
Show SMILES CCn1c(=O)[nH]c2cc(C)nn2c1=O
Show InChI InChI=1S/C8H10N4O2/c1-3-11-7(13)9-6-4-5(2)10-12(6)8(11)14/h4H,3H2,1-2H3,(H,9,13)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487011
PNG
(CHEMBL2252579)
Show SMILES FC(F)(F)c1cccc(Nc2nc3[nH]ncc3c(=O)s2)c1
Show InChI InChI=1S/C12H7F3N4OS/c13-12(14,15)6-2-1-3-7(4-6)17-11-18-9-8(5-16-19-9)10(20)21-11/h1-5H,(H2,16,17,18,19)
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n/an/a 3.32E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487011
PNG
(CHEMBL2252579)
Show SMILES FC(F)(F)c1cccc(Nc2nc3[nH]ncc3c(=O)s2)c1
Show InChI InChI=1S/C12H7F3N4OS/c13-12(14,15)6-2-1-3-7(4-6)17-11-18-9-8(5-16-19-9)10(20)21-11/h1-5H,(H2,16,17,18,19)
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n/an/a 3.32E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487012
PNG
(CHEMBL2252581)
Show SMILES Clc1ccc(Nc2nc3[nH]ncc3c(=O)s2)cc1
Show InChI InChI=1S/C11H7ClN4OS/c12-6-1-3-7(4-2-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 3.85E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487012
PNG
(CHEMBL2252581)
Show SMILES Clc1ccc(Nc2nc3[nH]ncc3c(=O)s2)cc1
Show InChI InChI=1S/C11H7ClN4OS/c12-6-1-3-7(4-2-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 3.85E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487022
PNG
(CHEMBL2252602)
Show SMILES Cc1cc2[nH]c(=O)n(Cc3ccccc3)c(=O)n2n1
Show InChI InChI=1S/C13H12N4O2/c1-9-7-11-14-12(18)16(13(19)17(11)15-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,18)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486998
PNG
(CHEMBL2252593)
Show SMILES Clc1ccccc1Nc1nc2[nH]ncc2c(=S)s1
Show InChI InChI=1S/C11H7ClN4S2/c12-7-3-1-2-4-8(7)14-11-15-9-6(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 4.31E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486998
PNG
(CHEMBL2252593)
Show SMILES Clc1ccccc1Nc1nc2[nH]ncc2c(=S)s1
Show InChI InChI=1S/C11H7ClN4S2/c12-7-3-1-2-4-8(7)14-11-15-9-6(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
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n/an/a 4.31E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487013
PNG
(CHEMBL2252583)
Show SMILES Clc1ccccc1Nc1nc2[nH]ncc2c(=O)s1
Show InChI InChI=1S/C11H7ClN4OS/c12-7-3-1-2-4-8(7)14-11-15-9-6(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.78E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487013
PNG
(CHEMBL2252583)
Show SMILES Clc1ccccc1Nc1nc2[nH]ncc2c(=O)s1
Show InChI InChI=1S/C11H7ClN4OS/c12-7-3-1-2-4-8(7)14-11-15-9-6(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.78E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486997
PNG
(CHEMBL2252582)
Show SMILES Clc1cccc(Nc2nc3[nH]ncc3c(=O)s2)c1
Show InChI InChI=1S/C11H7ClN4OS/c12-6-2-1-3-7(4-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50486997
PNG
(CHEMBL2252582)
Show SMILES Clc1cccc(Nc2nc3[nH]ncc3c(=O)s2)c1
Show InChI InChI=1S/C11H7ClN4OS/c12-6-2-1-3-7(4-6)14-11-15-9-8(5-13-16-9)10(17)18-11/h1-5H,(H2,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
Photosystem II protein D1


(Spinacia oleracea)
BDBM50487014
PNG
(CHEMBL2252588)
Show SMILES O=c1sc(NC2CCCCC2)nc2[nH]ncc12
Show InChI InChI=1S/C11H14N4OS/c16-10-8-6-12-15-9(8)14-11(17-10)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.65E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibiti...


J Agric Food Chem 53: 3848-55 (2005)


Article DOI: 10.1021/jf0500029
BindingDB Entry DOI: 10.7270/Q2JD50PK
More data for this
Ligand-Target Pair
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