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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Protoporphyrinogen oxidase' AND taxid = 224308   
Target
(Institution)
LigandTarget
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
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414826
PNG
(CHEMBL575443)
Show SMILES CCC(N1C(=O)COc2cc(F)c(cc12)N1C(=O)C2=C(CCCC2)C1=O)C(=O)OC
Show InChI InChI=1S/C21H21FN2O6/c1-3-14(21(28)29-2)23-16-9-15(13(22)8-17(16)30-10-18(23)25)24-19(26)11-6-4-5-7-12(11)20(24)27/h8-9,14H,3-7,10H2,1-2H3
PDB
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8.13n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414833
PNG
(CHEMBL573409)
Show SMILES Fc1cccc(Cl)c1C(=O)NC(=O)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
Show InChI InChI=1S/C22H15Cl2F2N3O4/c23-12-6-3-7-14(25)18(12)19(30)28-22(33)27-16-9-17(15(26)8-13(16)24)29-20(31)10-4-1-2-5-11(10)21(29)32/h3,6-9H,1-2,4-5H2,(H2,27,28,30,33)
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8.32n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414834
PNG
(CHEMBL573884)
Show SMILES Fc1cc(Cl)c(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C22H15Cl3FN3O4/c23-12-6-3-7-13(24)18(12)19(30)28-22(33)27-16-9-17(15(26)8-14(16)25)29-20(31)10-4-1-2-5-11(10)21(29)32/h3,6-9H,1-2,4-5H2,(H2,27,28,30,33)
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12.9n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414827
PNG
(CHEMBL576959)
Show SMILES Fc1cc(Cl)c(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C22H16ClF4N3O3/c23-15-9-16(24)18(30-19(31)13-6-1-2-7-14(13)20(30)32)10-17(15)29-21(33)28-12-5-3-4-11(8-12)22(25,26)27/h3-5,8-10H,1-2,6-7H2,(H2,28,29,33)
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25.1n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414837
PNG
(CHEMBL576356)
Show SMILES Fc1cc(Cl)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C22H15Cl3FN3O4/c23-10-5-6-13(14(24)7-10)19(30)28-22(33)27-17-9-18(16(26)8-15(17)25)29-20(31)11-3-1-2-4-12(11)21(29)32/h5-9H,1-4H2,(H2,27,28,30,33)
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26.9n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414828
PNG
(CHEMBL573881)
Show SMILES Fc1cc(Cl)c(NC(=O)Nc2ccc(Cl)cc2)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C21H16Cl2FN3O3/c22-11-5-7-12(8-6-11)25-21(30)26-17-10-18(16(24)9-15(17)23)27-19(28)13-3-1-2-4-14(13)20(27)29/h5-10H,1-4H2,(H2,25,26,30)
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28.2n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414836
PNG
(CHEMBL573877)
Show SMILES Fc1cc(Cl)c(NC(=O)NC(=O)c2cccc(OC(F)(F)F)c2)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C23H16ClF4N3O5/c24-15-9-16(25)18(31-20(33)13-6-1-2-7-14(13)21(31)34)10-17(15)29-22(35)30-19(32)11-4-3-5-12(8-11)36-23(26,27)28/h3-5,8-10H,1-2,6-7H2,(H2,29,30,32,35)
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33.9n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414824
PNG
(CHEMBL573882)
Show SMILES COC(=O)CN1C(=O)C(C)Oc2cc(F)c(cc12)N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C20H19FN2O6/c1-10-18(25)22(9-17(24)28-2)15-8-14(13(21)7-16(15)29-10)23-19(26)11-5-3-4-6-12(11)20(23)27/h7-8,10H,3-6,9H2,1-2H3
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39.8n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414819
PNG
(CHEMBL572510)
Show SMILES CCOC(=O)C(CC)N1C(=O)COc2cc(F)c(cc12)N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C22H23FN2O6/c1-3-15(22(29)30-4-2)24-17-10-16(14(23)9-18(17)31-11-19(24)26)25-20(27)12-7-5-6-8-13(12)21(25)28/h9-10,15H,3-8,11H2,1-2H3
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44.7n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414825
PNG
(CHEMBL575229)
Show SMILES COC(=O)C(C)N1C(=O)C(C)Oc2cc(F)c(cc12)N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C21H21FN2O6/c1-10(21(28)29-3)23-16-9-15(14(22)8-17(16)30-11(2)18(23)25)24-19(26)12-6-4-5-7-13(12)20(24)27/h8-11H,4-7H2,1-3H3
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49.0n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414820
PNG
(CHEMBL576943)
Show SMILES CCOC(=O)CN1C(=O)C(C)Oc2cc(F)c(cc12)N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C21H21FN2O6/c1-3-29-18(25)10-23-16-9-15(14(22)8-17(16)30-11(2)19(23)26)24-20(27)12-6-4-5-7-13(12)21(24)28/h8-9,11H,3-7,10H2,1-2H3
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60.3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414835
PNG
(CHEMBL578034)
Show SMILES Fc1cc(Cl)c(NC(=O)NC(=O)c2ccccc2)cc1N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C22H17ClFN3O4/c23-15-10-16(24)18(27-20(29)13-8-4-5-9-14(13)21(27)30)11-17(15)25-22(31)26-19(28)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H2,25,26,28,31)
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89.1n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414823
PNG
(CHEMBL577788)
Show SMILES CCOC(=O)C(N1C(=O)C(C)Oc2cc(F)c(cc12)N1C(=O)C2=C(CCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C27H25FN2O6/c1-3-35-27(34)23(16-9-5-4-6-10-16)29-21-14-20(19(28)13-22(21)36-15(2)24(29)31)30-25(32)17-11-7-8-12-18(17)26(30)33/h4-6,9-10,13-15,23H,3,7-8,11-12H2,1-2H3
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91.2n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414821
PNG
(CHEMBL575004)
Show SMILES CCOC(=O)C(C)N1C(=O)C(C)Oc2cc(F)c(cc12)N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C22H23FN2O6/c1-4-30-22(29)11(2)24-17-10-16(15(23)9-18(17)31-12(3)19(24)26)25-20(27)13-7-5-6-8-14(13)21(25)28/h9-12H,4-8H2,1-3H3
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110n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414822
PNG
(CHEMBL575012)
Show SMILES CCOC(=O)C(C)N1C(=O)COc2cc(F)c(cc12)N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C21H21FN2O6/c1-3-29-21(28)11(2)23-16-9-15(14(22)8-17(16)30-10-18(23)25)24-19(26)12-6-4-5-7-13(12)20(24)27/h8-9,11H,3-7,10H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414830
PNG
(CHEMBL577789)
Show SMILES CC(C)N(C(C)C)C(=O)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
Show InChI InChI=1S/C21H25ClFN3O3/c1-11(2)25(12(3)4)21(29)24-17-10-18(16(23)9-15(17)22)26-19(27)13-7-5-6-8-14(13)20(26)28/h9-12H,5-8H2,1-4H3,(H,24,29)
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229n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414831
PNG
(CHEMBL576572)
Show SMILES CCCN(CCC)C(=O)Nc1cc(ccc1Cl)N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C21H26ClN3O3/c1-3-11-24(12-4-2)21(28)23-18-13-14(9-10-17(18)22)25-19(26)15-7-5-6-8-16(15)20(25)27/h9-10,13H,3-8,11-12H2,1-2H3,(H,23,28)
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288n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414832
PNG
(CHEMBL575002)
Show SMILES CNC(=O)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
Show InChI InChI=1S/C16H15ClFN3O3/c1-19-16(24)20-12-7-13(11(18)6-10(12)17)21-14(22)8-4-2-3-5-9(8)15(21)23/h6-7H,2-5H2,1H3,(H2,19,20,24)
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372n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414829
PNG
(CHEMBL575006)
Show SMILES CC(C)(CCl)C(=O)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
Show InChI InChI=1S/C19H19Cl2FN2O3/c1-19(2,9-20)18(27)23-14-8-15(13(22)7-12(14)21)24-16(25)10-5-3-4-6-11(10)17(24)26/h7-8H,3-6,9H2,1-2H3,(H,23,27)
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871n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414816
PNG
(CHEMBL573126)
Show SMILES Fc1cc2OCC(=O)N(CC#N)c2cc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H10FN3O4/c19-12-7-15-14(21(6-5-20)16(23)9-26-15)8-13(12)22-17(24)10-3-1-2-4-11(10)18(22)25/h1-4,7-8H,6,9H2
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1.02E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414815
PNG
(CHEMBL577803)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1cc2N(CC#C)C(=O)COc2cc1F
Show InChI InChI=1S/C20H13FN2O4/c1-3-6-22-16-9-15(14(21)8-17(16)27-10-18(22)24)23-19(25)12-5-4-11(2)7-13(12)20(23)26/h1,4-5,7-9H,6,10H2,2H3
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2.82E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414814
PNG
(CHEMBL576568)
Show SMILES Fc1cc2OCC(=O)N(CC#C)c2cc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H11FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,3-6,8-9H,7,10H2
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3.31E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414818
PNG
(CHEMBL575228)
Show SMILES CC1Oc2cc(F)c(cc2N(CC#C)C1=O)N1C(=O)c2ccc(C)cc2C1=O
Show InChI InChI=1S/C21H15FN2O4/c1-4-7-23-17-10-16(15(22)9-18(17)28-12(3)19(23)25)24-20(26)13-6-5-11(2)8-14(13)21(24)27/h1,5-6,8-10,12H,7H2,2-3H3
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PubMed
4.79E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414817
PNG
(CHEMBL578226)
Show SMILES CC1Oc2cc(F)c(cc2N(CC#C)C1=O)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C20H12F2N2O4/c1-3-7-23-15-9-14(13(22)8-16(15)28-10(2)18(23)25)24-19(26)11-5-4-6-12(21)17(11)20(24)27/h1,4-6,8-10H,7H2,2H3
PDB
MMDB

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PubMed
5.01E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair
Protoporphyrinogen oxidase


(Bacillus subtilis (strain 168))
BDBM50414838
PNG
(CHEMBL576355)
Show SMILES Clc1ccc(cc1NC(=O)NC(=O)c1ccccc1)N1C(=O)C2=C(CCCC2)C1=O
Show InChI InChI=1S/C22H18ClN3O4/c23-17-11-10-14(26-20(28)15-8-4-5-9-16(15)21(26)29)12-18(17)24-22(30)25-19(27)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H2,24,25,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
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Article
PubMed
6.17E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis


Bioorg Med Chem 17: 4935-42 (2009)

More data for this
Ligand-Target Pair