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Found 72 hits Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase ' AND taxid = 242507   
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
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078280
PNG
((R)-2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-meth...)
Show SMILES C[C@H](COc1cc(F)ccc1F)NC(=O)[C@@H](C#N)C(C)(C)C
Show InChI InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12-/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50086741
PNG
(((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)E...)
Show SMILES CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



DuPont Central Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibition constant against scytalone dehydratase (SD)


Bioorg Med Chem Lett 10: 491-4 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078281
PNG
(2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-e...)
Show SMILES C[C@H](COc1cc(F)ccc1F)NC(=O)C(C#N)C(C)(C)C
Show InChI InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12?/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078284
PNG
(CHEMBL38912 | N-[(R)-1-(4-Bromo-phenyl)-ethyl]-5-f...)
Show SMILES C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1
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0.0460n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards SD (Scytalone dehydratase) against the rice pathogen Magnaporthe grisea


Bioorg Med Chem Lett 10: 23-6 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50080936
PNG
(3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecar...)
Show SMILES C[C@@H](NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1
Show InChI InChI=1S/C15H16BrClF3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1
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0.0490n/an/an/an/an/an/an/an/a



Stine Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Scytalone dehydratase


Bioorg Med Chem Lett 9: 2509-14 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078290
PNG
((R)-2-Cyano-N-[(R)-2-(2-fluoro-phenoxy)-1-methyl-e...)
Show SMILES C[C@H](COc1ccccc1F)NC(=O)[C@@H](C#N)C(C)(C)C
Show InChI InChI=1S/C16H21FN2O2/c1-11(10-21-14-8-6-5-7-13(14)17)19-15(20)12(9-18)16(2,3)4/h5-8,11-12H,10H2,1-4H3,(H,19,20)/t11-,12-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078268
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1cc(F)ccc1F
Show InChI InChI=1S/C16H19Cl2F2NO2/c1-4-15(10(3)16(15,17)18)14(22)21-9(2)8-23-13-7-11(19)5-6-12(13)20/h5-7,9-10H,4,8H2,1-3H3,(H,21,22)/t9-,10?,15-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078289
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1cccc(F)c1
Show InChI InChI=1S/C16H20Cl2FNO2/c1-4-15(11(3)16(15,17)18)14(21)20-10(2)9-22-13-7-5-6-12(19)8-13/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)/t10-,11?,15-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078272
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1ccccc1
Show InChI InChI=1S/C16H21Cl2NO2/c1-4-15(12(3)16(15,17)18)14(20)19-11(2)10-21-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,19,20)/t11-,12?,15-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078271
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1ccc(F)cc1
Show InChI InChI=1S/C16H20Cl2FNO2/c1-4-15(11(3)16(15,17)18)14(21)20-10(2)9-22-13-7-5-12(19)6-8-13/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)/t10-,11?,15-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078269
PNG
((R)-2-Cyano-N-[(R)-2-(3-fluoro-phenoxy)-1-methyl-e...)
Show SMILES C[C@H](COc1cccc(F)c1)NC(=O)[C@@H](C#N)C(C)(C)C
Show InChI InChI=1S/C16H21FN2O2/c1-11(10-21-13-7-5-6-12(17)8-13)19-15(20)14(9-18)16(2,3)4/h5-8,11,14H,10H2,1-4H3,(H,19,20)/t11-,14-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078282
PNG
(2-Cyano-N-[2-(2-fluoro-phenoxy)-1-methyl-ethyl]-3,...)
Show SMILES CC(COc1ccccc1F)NC(=O)C(C#N)C(C)(C)C
Show InChI InChI=1S/C16H21FN2O2/c1-11(10-21-14-8-6-5-7-13(14)17)19-15(20)12(9-18)16(2,3)4/h5-8,11-12H,10H2,1-4H3,(H,19,20)
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0.240n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078275
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1ccccc1F
Show InChI InChI=1S/C16H20Cl2FNO2/c1-4-15(11(3)16(15,17)18)14(21)20-10(2)9-22-13-8-6-5-7-12(13)19/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)/t10-,11?,15-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078274
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)NC(C)COc1ccccc1
Show InChI InChI=1S/C16H21Cl2NO2/c1-4-15(12(3)16(15,17)18)14(20)19-11(2)10-21-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,19,20)/t11?,12?,15-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078277
PNG
((R)-2-Cyano-N-[2-(3-fluoro-phenoxy)-1-methyl-ethyl...)
Show SMILES CC(COc1cccc(F)c1)NC(=O)[C@@H](C#N)C(C)(C)C
Show InChI InChI=1S/C16H21FN2O2/c1-11(10-21-13-7-5-6-12(17)8-13)19-15(20)14(9-18)16(2,3)4/h5-8,11,14H,10H2,1-4H3,(H,19,20)/t11?,14-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078294
PNG
((R)-2-Cyano-3,3-dimethyl-N-((R)-1-methyl-2-phenoxy...)
Show SMILES C[C@H](COc1ccccc1)NC(=O)[C@@H](C#N)C(C)(C)C
Show InChI InChI=1S/C16H22N2O2/c1-12(11-20-13-8-6-5-7-9-13)18-15(19)14(10-17)16(2,3)4/h5-9,12,14H,11H2,1-4H3,(H,18,19)/t12-,14-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078294
PNG
((R)-2-Cyano-3,3-dimethyl-N-((R)-1-methyl-2-phenoxy...)
Show SMILES C[C@H](COc1ccccc1)NC(=O)[C@@H](C#N)C(C)(C)C
Show InChI InChI=1S/C16H22N2O2/c1-12(11-20-13-8-6-5-7-9-13)18-15(19)14(10-17)16(2,3)4/h5-9,12,14H,11H2,1-4H3,(H,18,19)/t12-,14-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078286
PNG
((S)-2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-meth...)
Show SMILES C[C@H](COc1cc(F)ccc1F)NC(=O)[C@H](C#N)C(C)(C)C
Show InChI InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12+/m1/s1
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0.730n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50080935
PNG
(3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecar...)
Show SMILES C[C@H](COc1ccccc1F)NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F
Show InChI InChI=1S/C16H18ClF4NO2/c1-10(7-24-12-6-4-3-5-11(12)18)22-13(23)15(16(19,20)21)8-14(2,17)9-15/h3-6,10H,7-9H2,1-2H3,(H,22,23)/t10-,14?,15?/m1/s1
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0.780n/an/an/an/an/an/an/an/a



Stine Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Scytalone dehydratase


Bioorg Med Chem Lett 9: 2509-14 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078279
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)NC(C)CCc1ccccc1
Show InChI InChI=1S/C17H23Cl2NO/c1-4-16(13(3)17(16,18)19)15(21)20-12(2)10-11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,21)/t12?,13?,16-/m1/s1
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0.830n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078293
PNG
((R)-2-Cyano-N-[(R)-2-(2,3-difluoro-phenoxy)-1-meth...)
Show SMILES C[C@H](COc1cccc(F)c1F)NC(=O)[C@@H](C#N)C(C)(C)C
Show InChI InChI=1S/C16H20F2N2O2/c1-10(20-15(21)11(8-19)16(2,3)4)9-22-13-7-5-6-12(17)14(13)18/h5-7,10-11H,9H2,1-4H3,(H,20,21)/t10-,11-/m1/s1
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0.950n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078288
PNG
(2-Cyano-N-[(R)-2-(4-fluoro-phenoxy)-1-methyl-ethyl...)
Show SMILES C[C@H](COc1ccc(F)cc1)NC(=O)C(C#N)C(C)(C)C
Show InChI InChI=1S/C16H21FN2O2/c1-11(10-21-13-7-5-12(17)6-8-13)19-15(20)14(9-18)16(2,3)4/h5-8,11,14H,10H2,1-4H3,(H,19,20)/t11-,14?/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078270
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C16H21Cl2NO/c1-3-15(12(2)16(15,17)18)14(20)19-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,19,20)/t12?,15-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078291
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1cccc(F)c1F
Show InChI InChI=1S/C16H19Cl2F2NO2/c1-4-15(10(3)16(15,17)18)14(22)21-9(2)8-23-12-7-5-6-11(19)13(12)20/h5-7,9-10H,4,8H2,1-3H3,(H,21,22)/t9-,10?,15-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50080936
PNG
(3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecar...)
Show SMILES C[C@@H](NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1
Show InChI InChI=1S/C15H16BrClF3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Stine Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Scytalone dehydratase


Bioorg Med Chem Lett 9: 2509-14 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50080936
PNG
(3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecar...)
Show SMILES C[C@@H](NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1
Show InChI InChI=1S/C15H16BrClF3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Stine Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Scytalone dehydratase


Bioorg Med Chem Lett 9: 2509-14 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078292
PNG
(2-Cyano-3,3-dimethyl-N-(1-methyl-2-phenoxy-ethyl)-...)
Show SMILES CC(COc1ccccc1)NC(=O)C(C#N)C(C)(C)C
Show InChI InChI=1S/C16H22N2O2/c1-12(11-20-13-8-6-5-7-9-13)18-15(19)14(10-17)16(2,3)4/h5-9,12,14H,11H2,1-4H3,(H,18,19)
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2.80n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50080937
PNG
(3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecar...)
Show SMILES CC(NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H21ClF3NO2/c1-14(26-18(27)20(21(23,24)25)12-19(2,22)13-20)15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,26,27)
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5.60n/an/an/an/an/an/an/an/a



Stine Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Scytalone dehydratase


Bioorg Med Chem Lett 9: 2509-14 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50086743
PNG
(CHEMBL358101 | N-(2,5-Difluoro-phenyl)-4-{3-[(E)-(...)
Show SMILES Fc1ccc(F)c(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2)c1
Show InChI InChI=1S/C22H17F2N3O3S2/c23-16-7-12-19(24)20(14-16)27-32(29,30)18-10-8-17(9-11-18)25-22(31)26-21(28)13-6-15-4-2-1-3-5-15/h1-14,27H,(H2,25,26,28,31)
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6.40n/an/an/an/an/an/an/an/a



DuPont Central Research and Development

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibition constant against scytalone dehydratase (SD)


Bioorg Med Chem Lett 10: 491-4 (2000)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078295
PNG
(2-Cyano-3,3-dimethyl-N-(1-methyl-3-phenyl-propyl)-...)
Show SMILES CC(CCc1ccccc1)NC(=O)C(C#N)C(C)(C)C
Show InChI InChI=1S/C17H24N2O/c1-13(10-11-14-8-6-5-7-9-14)19-16(20)15(12-18)17(2,3)4/h5-9,13,15H,10-11H2,1-4H3,(H,19,20)
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7.20n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50282105
PNG
(2-Hydroxy-N-(3-phenyl-propyl)-benzamide | CHEMBL29...)
Show SMILES Oc1ccccc1C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C16H17NO2/c18-15-11-5-4-10-14(15)16(19)17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,18H,6,9,12H2,(H,17,19)
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7.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The inhibitory activity (Ki) of the protonated compound was measured against scytalone dehydratase at pH 7.0


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078273
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C15H19Cl2NO2/c1-3-14(11(2)15(14,16)17)13(19)18-9-10-20-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,18,19)/t11?,14-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078287
PNG
((R)-2-Cyano-N-[(S)-2-(2,5-difluoro-phenoxy)-1-meth...)
Show SMILES C[C@@H](COc1cc(F)ccc1F)NC(=O)[C@@H](C#N)C(C)(C)C
Show InChI InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12+/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078309
PNG
(4-(3,3-Diphenyl-propylamino)-cinnoline-3-carbonitr...)
Show SMILES N#Cc1nnc2ccccc2c1NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27)
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8n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50080938
PNG
(3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecar...)
Show SMILES CC(CCc1ccccc1)NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F
Show InChI InChI=1S/C17H21ClF3NO/c1-12(8-9-13-6-4-3-5-7-13)22-14(23)16(17(19,20)21)10-15(2,18)11-16/h3-7,12H,8-11H2,1-2H3,(H,22,23)
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8.60n/an/an/an/an/an/an/an/a



Stine Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Scytalone dehydratase


Bioorg Med Chem Lett 9: 2509-14 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078285
PNG
(2-Cyano-3,3-dimethyl-N-(3-phenyl-propyl)-butyramid...)
Show SMILES CC(C)(C)C(C#N)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C16H22N2O/c1-16(2,3)14(12-17)15(19)18-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-11H2,1-3H3,(H,18,19)
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14n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078298
PNG
(2-Cyano-2-cyclopropyl-N-[(1R,2S)-2-(2,5-difluoro-p...)
Show SMILES C[C@@H](NC(=O)C(C#N)C1CC1)[C@@H](Oc1cc(F)ccc1F)c1ccccc1
Show InChI InChI=1S/C21H20F2N2O2/c1-13(25-21(26)17(12-24)14-7-8-14)20(15-5-3-2-4-6-15)27-19-11-16(22)9-10-18(19)23/h2-6,9-11,13-14,17,20H,7-8H2,1H3,(H,25,26)/t13-,17?,20-/m1/s1
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14n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078312
PNG
(2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxyl...)
Show SMILES CCC1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10?,14?/m1/s1
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19n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50282106
PNG
((3-Phenyl-propyl)-quinazolin-4-yl-amine | CHEMBL42...)
Show SMILES C(CNc1ncnc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C17H17N3/c1-2-7-14(8-3-1)9-6-12-18-17-15-10-4-5-11-16(15)19-13-20-17/h1-5,7-8,10-11,13H,6,9,12H2,(H,18,19,20)
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The inhibitory activity (Ki) of the deprotonated compound was measured against scytalone dehydratase at pH 9.8


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078303
PNG
(2-Cyano-N-[(1R,2S)-2-(2,5-difluoro-phenoxy)-1-meth...)
Show SMILES CCC(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1F)c1ccccc1
Show InChI InChI=1S/C20H20F2N2O2/c1-3-14(12-23)20(25)24-13(2)19(15-7-5-4-6-8-15)26-18-11-16(21)9-10-17(18)22/h4-11,13-14,19H,3H2,1-2H3,(H,24,25)/t13-,14?,19-/m1/s1
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20n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078286
PNG
((S)-2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-meth...)
Show SMILES C[C@H](COc1cc(F)ccc1F)NC(=O)[C@H](C#N)C(C)(C)C
Show InChI InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12+/m1/s1
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20n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078301
PNG
(2-Cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-...)
Show SMILES CCC(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1C#N)c1ccccc1
Show InChI InChI=1S/C21H20FN3O2/c1-3-15(12-23)21(26)25-14(2)20(16-7-5-4-6-8-16)27-19-11-18(22)10-9-17(19)13-24/h4-11,14-15,20H,3H2,1-2H3,(H,25,26)/t14-,15?,20-/m1/s1
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21n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078302
PNG
(CHEMBL417897 | N-[(1R,2S)-2-(5-Chloro-2-cyano-phen...)
Show SMILES CCC(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1
Show InChI InChI=1S/C21H20ClN3O2/c1-3-15(12-23)21(26)25-14(2)20(16-7-5-4-6-8-16)27-19-11-18(22)10-9-17(19)13-24/h4-11,14-15,20H,3H2,1-2H3,(H,25,26)/t14-,15?,20-/m1/s1
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31n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078304
PNG
((6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHE...)
Show SMILES C[C@H](Nc1ncnc2cc(F)c(F)cc12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1
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32n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078296
PNG
((R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarb...)
Show SMILES CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@@H](C)COc1cc(F)ccc1F
Show InChI InChI=1S/C16H19Cl2F2NO2/c1-4-15(10(3)16(15,17)18)14(22)21-9(2)8-23-13-7-11(19)5-6-12(13)20/h5-7,9-10H,4,8H2,1-3H3,(H,21,22)/t9-,10?,15+/m0/s1
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33n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1607-12 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078310
PNG
(CHEMBL289791 | N-[(1R,2S)-2-(5-Bromo-2-cyano-pheno...)
Show SMILES CCC(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(Br)ccc1C#N)c1ccccc1
Show InChI InChI=1S/C21H20BrN3O2/c1-3-15(12-23)21(26)25-14(2)20(16-7-5-4-6-8-16)27-19-11-18(22)10-9-17(19)13-24/h4-11,14-15,20H,3H2,1-2H3,(H,25,26)/t14-,15?,20-/m1/s1
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34n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078297
PNG
(2-Cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-...)
Show SMILES CC(C)C(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1C#N)c1ccccc1
Show InChI InChI=1S/C22H22FN3O2/c1-14(2)19(13-25)22(27)26-15(3)21(16-7-5-4-6-8-16)28-20-11-18(23)10-9-17(20)12-24/h4-11,14-15,19,21H,1-3H3,(H,26,27)/t15-,19?,21-/m1/s1
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34n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078306
PNG
(2-Cyano-N-[(1R,2S)-2-(2-cyano-phenoxy)-1-methyl-2-...)
Show SMILES CC(C)C(C#N)C(=O)N[C@H](C)[C@@H](Oc1ccccc1C#N)c1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-15(2)19(14-24)22(26)25-16(3)21(17-9-5-4-6-10-17)27-20-12-8-7-11-18(20)13-23/h4-12,15-16,19,21H,1-3H3,(H,25,26)/t16-,19?,21-/m1/s1
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38n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078281
PNG
(2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-e...)
Show SMILES C[C@H](COc1cc(F)ccc1F)NC(=O)C(C#N)C(C)(C)C
Show InChI InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12?/m1/s1
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42n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078284
PNG
(CHEMBL38912 | N-[(R)-1-(4-Bromo-phenyl)-ethyl]-5-f...)
Show SMILES C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1
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47n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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