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Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'barbosa' and Initial = 'lc'   
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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50589226
PNG
(CHEMBL5205738)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCC2(CC1)CCN(CC2)C1=C(F)C(=O)OC1 |r,c:29|
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n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116815
BindingDB Entry DOI: 10.7270/Q2BZ6B0S
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM195030
PNG
(US9206198, 53A)
Show SMILES C[C@@H]([C@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1 |r,c:27|
Show InChI InChI=1S/C25H30N2O6/c1-14-17(4-5-18-19(14)12-32-23(18)30)21(28)16(3)26-9-6-25(7-10-26)8-11-27(24(25)31)20-13-33-22(29)15(20)2/h4-5,16,21,28H,6-13H2,1-3H3/t16-,21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116815
BindingDB Entry DOI: 10.7270/Q2BZ6B0S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50589228
PNG
(CHEMBL5171437)
Show SMILES CC(C)CN(C1CCCCC1)C1=C(Cl)C(=O)OC1OCC#C |c:12|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116815
BindingDB Entry DOI: 10.7270/Q2BZ6B0S
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50589227
PNG
(CHEMBL5191421)
Show SMILES CC(C)CNC1=C(Cl)C(=O)OC1OCc1ccccc1 |c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116815
BindingDB Entry DOI: 10.7270/Q2BZ6B0S
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497194
PNG
(CHEMBL3116168)
Show SMILES COc1ccc(Cl)cc1C1=C(Br)C(=O)N(CC(C)C)\C1=C\c1ccccc1Br |c:10|
Show InChI InChI=1S/C22H20Br2ClNO2/c1-13(2)12-26-18(10-14-6-4-5-7-17(14)23)20(21(24)22(26)27)16-11-15(25)8-9-19(16)28-3/h4-11,13H,12H2,1-3H3/b18-10+
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n/an/a 1.44E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488407
PNG
(CHEMBL2228162)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)cc1 |c:20|
Show InChI InChI=1S/C18H13NO4/c20-18-15(10-13-4-2-1-3-5-13)12-17(23-18)11-14-6-8-16(9-7-14)19(21)22/h1-9,11-12H,10H2/b17-11-
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n/an/a 1.70E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488407
PNG
(CHEMBL2228162)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)cc1 |c:20|
Show InChI InChI=1S/C18H13NO4/c20-18-15(10-13-4-2-1-3-5-13)12-17(23-18)11-14-6-8-16(9-7-14)19(21)22/h1-9,11-12H,10H2/b17-11-
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n/an/a 1.70E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497201
PNG
(CHEMBL3116167)
Show SMILES COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)\C1=C\c1ccccc1Cl |c:10|
Show InChI InChI=1S/C23H23BrClNO2/c1-14(2)13-26-19(12-16-7-5-6-8-18(16)25)21(22(24)23(26)27)17-11-15(3)9-10-20(17)28-4/h5-12,14H,13H2,1-4H3/b19-12+
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n/an/a 2.17E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497203
PNG
(CHEMBL3115985)
Show SMILES COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)C1(O)Cc1ccccc1Cl |c:10|
Show InChI InChI=1S/C23H25BrClNO3/c1-14(2)13-26-22(27)21(24)20(17-11-15(3)9-10-19(17)29-4)23(26,28)12-16-7-5-6-8-18(16)25/h5-11,14,28H,12-13H2,1-4H3
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n/an/a 2.29E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497199
PNG
(CHEMBL3115992)
Show SMILES COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)\C1=C/c1ccccc1Cl |c:10|
Show InChI InChI=1S/C23H23BrClNO2/c1-14(2)13-26-19(12-16-7-5-6-8-18(16)25)21(22(24)23(26)27)17-11-15(3)9-10-20(17)28-4/h5-12,14H,13H2,1-4H3/b19-12-
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n/an/a 2.38E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497204
PNG
(CHEMBL3115986)
Show SMILES COc1ccc(Cl)cc1C1=C(Br)C(=O)N(CC(C)C)C1(O)Cc1ccccc1Br |c:10|
Show InChI InChI=1S/C22H22Br2ClNO3/c1-13(2)12-26-21(27)20(24)19(16-10-15(25)8-9-18(16)29-3)22(26,28)11-14-6-4-5-7-17(14)23/h4-10,13,28H,11-12H2,1-3H3
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n/an/a 2.39E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497190
PNG
(CHEMBL3115993)
Show SMILES COc1ccc(Cl)cc1C1=C(Br)C(=O)N(CC(C)C)\C1=C/c1ccccc1Br |c:10|
Show InChI InChI=1S/C22H20Br2ClNO2/c1-13(2)12-26-18(10-14-6-4-5-7-17(14)23)20(21(24)22(26)27)16-11-15(25)8-9-19(16)28-3/h4-11,13H,12H2,1-3H3/b18-10-
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n/an/a 2.85E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497191
PNG
(CHEMBL3116162)
Show SMILES COc1cccc(\C=C2/N(CC(C)C)C(=O)C(Br)=C2c2cc(Cl)ccc2OC)c1 |c:17|
Show InChI InChI=1S/C23H23BrClNO3/c1-14(2)13-26-19(11-15-6-5-7-17(10-15)28-3)21(22(24)23(26)27)18-12-16(25)8-9-20(18)29-4/h5-12,14H,13H2,1-4H3/b19-11-
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n/an/a 3.14E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497202
PNG
(CHEMBL3115977)
Show SMILES COc1ccc(C)cc1C1=C(Br)C(=O)O\C1=C/c1cccc(Cl)c1 |c:10|
Show InChI InChI=1S/C19H14BrClO3/c1-11-6-7-15(23-2)14(8-11)17-16(24-19(22)18(17)20)10-12-4-3-5-13(21)9-12/h3-10H,1-2H3/b16-10-
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n/an/a 3.69E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497193
PNG
(CHEMBL3116165)
Show SMILES COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)\C1=C\c1ccc(Br)cc1 |c:10|
Show InChI InChI=1S/C22H20Br3NO2/c1-13(2)12-26-18(10-14-4-6-15(23)7-5-14)20(21(25)22(26)27)17-11-16(24)8-9-19(17)28-3/h4-11,13H,12H2,1-3H3/b18-10+
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n/an/a 5.96E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497200
PNG
(CHEMBL3116163)
Show SMILES COc1ccccc1C1=C(Br)C(=O)N(CC(C)C)\C1=C\c1ccc(cc1)C(F)(F)F |c:9|
Show InChI InChI=1S/C23H21BrF3NO2/c1-14(2)13-28-18(12-15-8-10-16(11-9-15)23(25,26)27)20(21(24)22(28)29)17-6-4-5-7-19(17)30-3/h4-12,14H,13H2,1-3H3/b18-12+
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n/an/a 6.24E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497189
PNG
(CHEMBL3115989)
Show SMILES COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)\C1=C/c1cccc(Cl)c1 |c:10|
Show InChI InChI=1S/C22H20Br2ClNO2/c1-13(2)12-26-18(10-14-5-4-6-16(25)9-14)20(21(24)22(26)27)17-11-15(23)7-8-19(17)28-3/h4-11,13H,12H2,1-3H3/b18-10-
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n/an/a 6.27E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497192
PNG
(CHEMBL3116164)
Show SMILES COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)\C1=C\c1cccc(Cl)c1 |c:10|
Show InChI InChI=1S/C22H20Br2ClNO2/c1-13(2)12-26-18(10-14-5-4-6-16(25)9-14)20(21(24)22(26)27)17-11-15(23)7-8-19(17)28-3/h4-11,13H,12H2,1-3H3/b18-10+
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n/an/a 6.65E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497195
PNG
(CHEMBL3116169)
Show SMILES COc1cccc(\C=C2\N(CC(C)C)C(=O)C(Br)=C2c2cc(Cl)ccc2OC)c1 |c:17|
Show InChI InChI=1S/C23H23BrClNO3/c1-14(2)13-26-19(11-15-6-5-7-17(10-15)28-3)21(22(24)23(26)27)18-12-16(25)8-9-20(18)29-4/h5-12,14H,13H2,1-4H3/b19-11+
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n/an/a 6.92E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488406
PNG
(CHEMBL2228180)
Show SMILES FC(F)(F)c1ccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)cc1 |c:21|
Show InChI InChI=1S/C19H13F3O2/c20-19(21,22)16-8-6-14(7-9-16)11-17-12-15(18(23)24-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2/b17-11-
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n/an/a 8.30E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488406
PNG
(CHEMBL2228180)
Show SMILES FC(F)(F)c1ccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)cc1 |c:21|
Show InChI InChI=1S/C19H13F3O2/c20-19(21,22)16-8-6-14(7-9-16)11-17-12-15(18(23)24-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2/b17-11-
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n/an/a 8.30E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488425
PNG
(CHEMBL2228176)
Show SMILES CCc1ccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)cc1 |c:19|
Show InChI InChI=1S/C20H18O2/c1-2-15-8-10-17(11-9-15)13-19-14-18(20(21)22-19)12-16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3/b19-13-
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Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488425
PNG
(CHEMBL2228176)
Show SMILES CCc1ccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)cc1 |c:19|
Show InChI InChI=1S/C20H18O2/c1-2-15-8-10-17(11-9-15)13-19-14-18(20(21)22-19)12-16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3/b19-13-
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n/an/a 9.10E+3n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488423
PNG
(CHEMBL2228181)
Show SMILES FC(F)(F)c1cccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)c1 |c:22|
Show InChI InChI=1S/C19H13F3O2/c20-19(21,22)16-8-4-7-14(10-16)11-17-12-15(18(23)24-17)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2/b17-11-
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n/an/a 1.00E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488423
PNG
(CHEMBL2228181)
Show SMILES FC(F)(F)c1cccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)c1 |c:22|
Show InChI InChI=1S/C19H13F3O2/c20-19(21,22)16-8-4-7-14(10-16)11-17-12-15(18(23)24-17)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2/b17-11-
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Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488427
PNG
(CHEMBL2228173)
Show SMILES Fc1ccccc1\C=C1/OC(=O)C(Cc2ccccc2)=C1 |c:21|
Show InChI InChI=1S/C18H13FO2/c19-17-9-5-4-8-14(17)11-16-12-15(18(20)21-16)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2/b16-11-
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n/an/a 1.01E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488427
PNG
(CHEMBL2228173)
Show SMILES Fc1ccccc1\C=C1/OC(=O)C(Cc2ccccc2)=C1 |c:21|
Show InChI InChI=1S/C18H13FO2/c19-17-9-5-4-8-14(17)11-16-12-15(18(20)21-16)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2/b16-11-
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Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497205
PNG
(CHEMBL3115990)
Show SMILES COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)\C1=C/c1ccc(Br)cc1 |c:10|
Show InChI InChI=1S/C22H20Br3NO2/c1-13(2)12-26-18(10-14-4-6-15(23)7-5-14)20(21(25)22(26)27)17-11-16(24)8-9-19(17)28-3/h4-11,13H,12H2,1-3H3/b18-10-
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n/an/a 1.15E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488435
PNG
(CHEMBL2228182)
Show SMILES FC(F)(F)c1ccccc1\C=C1/OC(=O)C(Cc2ccccc2)=C1 |c:24|
Show InChI InChI=1S/C19H13F3O2/c20-19(21,22)17-9-5-4-8-14(17)11-16-12-15(18(23)24-16)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2/b16-11-
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n/an/a 1.18E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488435
PNG
(CHEMBL2228182)
Show SMILES FC(F)(F)c1ccccc1\C=C1/OC(=O)C(Cc2ccccc2)=C1 |c:24|
Show InChI InChI=1S/C19H13F3O2/c20-19(21,22)17-9-5-4-8-14(17)11-16-12-15(18(23)24-16)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2/b16-11-
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n/an/a 1.18E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488404
PNG
(CHEMBL2228030)
Show SMILES COc1cc(OC)c(\C=C2\OC(=O)C(Cc3ccccc3)=C2)c(OC)c1 |c:21|
Show InChI InChI=1S/C21H20O5/c1-23-16-12-19(24-2)18(20(13-16)25-3)11-17-10-15(21(22)26-17)9-14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3/b17-11+
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n/an/a 1.27E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488404
PNG
(CHEMBL2228030)
Show SMILES COc1cc(OC)c(\C=C2\OC(=O)C(Cc3ccccc3)=C2)c(OC)c1 |c:21|
Show InChI InChI=1S/C21H20O5/c1-23-16-12-19(24-2)18(20(13-16)25-3)11-17-10-15(21(22)26-17)9-14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3/b17-11+
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Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488422
PNG
(CHEMBL2228184)
Show SMILES CN(C)c1cccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)c1 |c:21|
Show InChI InChI=1S/C20H19NO2/c1-21(2)18-10-6-9-16(12-18)13-19-14-17(20(22)23-19)11-15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3/b19-13-
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n/an/a 1.33E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488422
PNG
(CHEMBL2228184)
Show SMILES CN(C)c1cccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)c1 |c:21|
Show InChI InChI=1S/C20H19NO2/c1-21(2)18-10-6-9-16(12-18)13-19-14-17(20(22)23-19)11-15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3/b19-13-
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Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497184
PNG
(CHEMBL3115975)
Show SMILES COc1ccc(Br)cc1C1=C(Br)C(=O)O\C1=C/c1cccc(Cl)c1 |c:10|
Show InChI InChI=1S/C18H11Br2ClO3/c1-23-14-6-5-11(19)9-13(14)16-15(24-18(22)17(16)20)8-10-3-2-4-12(21)7-10/h2-9H,1H3/b15-8-
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n/an/a 1.46E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488426
PNG
(CHEMBL2228174)
Show SMILES Clc1ccccc1\C=C1/OC(=O)C(Cc2ccccc2)=C1 |c:21|
Show InChI InChI=1S/C18H13ClO2/c19-17-9-5-4-8-14(17)11-16-12-15(18(20)21-16)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2/b16-11-
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n/an/a 1.91E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488426
PNG
(CHEMBL2228174)
Show SMILES Clc1ccccc1\C=C1/OC(=O)C(Cc2ccccc2)=C1 |c:21|
Show InChI InChI=1S/C18H13ClO2/c19-17-9-5-4-8-14(17)11-16-12-15(18(20)21-16)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2/b16-11-
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n/an/a 1.91E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488430
PNG
(CHEMBL2228033)
Show SMILES COc1ccc(OC)c(\C=C2/OC(=O)C(Cc3ccccc3)=C2)c1 |c:22|
Show InChI InChI=1S/C20H18O4/c1-22-17-8-9-19(23-2)15(11-17)12-18-13-16(20(21)24-18)10-14-6-4-3-5-7-14/h3-9,11-13H,10H2,1-2H3/b18-12-
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n/an/a 1.94E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488430
PNG
(CHEMBL2228033)
Show SMILES COc1ccc(OC)c(\C=C2/OC(=O)C(Cc3ccccc3)=C2)c1 |c:22|
Show InChI InChI=1S/C20H18O4/c1-22-17-8-9-19(23-2)15(11-17)12-18-13-16(20(21)24-18)10-14-6-4-3-5-7-14/h3-9,11-13H,10H2,1-2H3/b18-12-
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n/an/a 1.94E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488431
PNG
(CHEMBL2228029)
Show SMILES O=C1O\C(=C/c2ccccc2)C=C1Cc1ccccc1 |c:12|
Show InChI InChI=1S/C18H14O2/c19-18-16(11-14-7-3-1-4-8-14)13-17(20-18)12-15-9-5-2-6-10-15/h1-10,12-13H,11H2/b17-12-
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n/an/a 1.97E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488431
PNG
(CHEMBL2228029)
Show SMILES O=C1O\C(=C/c2ccccc2)C=C1Cc1ccccc1 |c:12|
Show InChI InChI=1S/C18H14O2/c19-18-16(11-14-7-3-1-4-8-14)13-17(20-18)12-15-9-5-2-6-10-15/h1-10,12-13H,11H2/b17-12-
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n/an/a 1.97E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488403
PNG
(CHEMBL2228172)
Show SMILES Fc1cccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)c1 |c:19|
Show InChI InChI=1S/C18H13FO2/c19-16-8-4-7-14(10-16)11-17-12-15(18(20)21-17)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2/b17-11-
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n/an/a 2.05E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488403
PNG
(CHEMBL2228172)
Show SMILES Fc1cccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)c1 |c:19|
Show InChI InChI=1S/C18H13FO2/c19-16-8-4-7-14(10-16)11-17-12-15(18(20)21-17)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2/b17-11-
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n/an/a 2.05E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488428
PNG
(CHEMBL2228170)
Show SMILES Fc1ccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)cc1 |c:18|
Show InChI InChI=1S/C18H13FO2/c19-16-8-6-14(7-9-16)11-17-12-15(18(20)21-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2/b17-11-
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n/an/a 2.19E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488428
PNG
(CHEMBL2228170)
Show SMILES Fc1ccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)cc1 |c:18|
Show InChI InChI=1S/C18H13FO2/c19-16-8-6-14(7-9-16)11-17-12-15(18(20)21-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2/b17-11-
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n/an/a 2.19E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488436
PNG
(CHEMBL2228165)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)c1 |c:21|
Show InChI InChI=1S/C18H13NO4/c20-18-15(9-13-5-2-1-3-6-13)12-17(23-18)11-14-7-4-8-16(10-14)19(21)22/h1-8,10-12H,9H2/b17-11-
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n/an/a 2.31E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488436
PNG
(CHEMBL2228165)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/OC(=O)C(Cc3ccccc3)=C2)c1 |c:21|
Show InChI InChI=1S/C18H13NO4/c20-18-15(9-13-5-2-1-3-6-13)12-17(23-18)11-14-7-4-8-16(10-14)19(21)22/h1-8,10-12H,9H2/b17-11-
PDB
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n/an/a 2.31E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488411
PNG
(CHEMBL2228175)
Show SMILES Cc1ccccc1\C=C1/OC(=O)C(Cc2ccccc2)=C1 |c:21|
Show InChI InChI=1S/C19H16O2/c1-14-7-5-6-10-16(14)12-18-13-17(19(20)21-18)11-15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3/b18-12-
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n/an/a 2.35E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cytochrome b6-f complex subunit 4


(Spinacia oleracea)
BDBM50488411
PNG
(CHEMBL2228175)
Show SMILES Cc1ccccc1\C=C1/OC(=O)C(Cc2ccccc2)=C1 |c:21|
Show InChI InChI=1S/C19H16O2/c1-14-7-5-6-10-16(14)12-18-13-17(19(20)21-18)11-15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3/b18-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.35E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds interv...


Pest Manag Sci 66: 196-202 (2010)


Article DOI: 10.1002/ps.1855
BindingDB Entry DOI: 10.7270/Q2QC06DS
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM50497188
PNG
(CHEMBL3115988)
Show SMILES COc1ccccc1C1=C(Br)C(=O)N(CC(C)C)\C1=C/c1ccc(cc1)C(F)(F)F |c:9|
Show InChI InChI=1S/C23H21BrF3NO2/c1-14(2)13-28-18(12-15-8-10-16(11-9-15)23(25,26)27)20(21(24)22(28)29)17-6-4-5-7-19(17)30-3/h4-12,14H,13H2,1-3H3/b18-12-
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n/an/a 2.49E+4n/an/an/an/an/an/a



Federal University of Vi£osa

Curated by ChEMBL


Assay Description
Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis


Eur J Med Chem 82: 127-38 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.035
BindingDB Entry DOI: 10.7270/Q29K4F6V
More data for this
Ligand-Target Pair
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