Compile Data Set for Download or QSAR

Found 99 hits of ki for UniProtKB: P56221   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078309 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486975 (CHEMBL2251221) Show SMILES C[C@@H](NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Cl)cc1Cl |r,wU:7.8,wD:5.4,1.0,(9.6,-20.54,;9.61,-22.08,;8.29,-22.87,;6.95,-22.11,;6.93,-20.57,;5.62,-22.9,;4.51,-23.96,;3.44,-22.85,;2.34,-23.93,;2.1,-22.07,;4.55,-21.79,;6.7,-23.98,;6.31,-25.47,;8.19,-23.58,;7.79,-25.07,;10.95,-22.84,;10.96,-24.38,;12.3,-25.13,;13.63,-24.35,;14.97,-25.1,;13.61,-22.8,;12.27,-22.05,;12.24,-20.51,)| Show InChI InChI=1S/C15H15Cl3F3NO/c1-8(10-4-3-9(16)5-11(10)17)22-12(23)14(15(19,20)21)6-13(2,18)7-14/h3-5,8H,6-7H2,1-2H3,(H,22,23)/t8-,13-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486958 (CHEMBL2251869) Show SMILES C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1)c1ccc(Cl)cc1Cl |r,wU:5.4,8.9,wD:1.0,(10.61,-1.98,;10.62,-3.52,;9.3,-4.3,;7.96,-3.55,;7.94,-2.01,;6.63,-4.33,;6.62,-5.86,;5.55,-5.43,;4.45,-4.34,;3.11,-5.1,;3.35,-3.24,;5.54,-3.25,;11.97,-4.27,;11.97,-5.81,;13.31,-6.57,;14.64,-5.78,;15.98,-6.54,;14.62,-4.24,;13.28,-3.49,;13.25,-1.95,)| Show InChI InChI=1S/C15H18Cl3NO/c1-9(11-5-4-10(16)6-12(11)17)19-13(20)14(2)7-15(3,18)8-14/h4-6,9H,7-8H2,1-3H3,(H,19,20)/t9-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078298 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486969 (CHEMBL2251871) Show SMILES C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1)c1ccc2ccccc2c1 |r,wU:5.4,8.9,wD:1.0,(40.37,-2.17,;40.39,-3.71,;39.06,-4.5,;37.72,-3.74,;37.71,-2.2,;36.4,-4.52,;36.39,-6.06,;35.31,-5.62,;34.22,-4.54,;32.88,-5.3,;33.12,-3.44,;35.3,-3.44,;41.73,-4.47,;41.74,-6.01,;43.08,-6.76,;44.41,-5.98,;45.75,-6.73,;47.08,-5.93,;47.05,-4.38,;45.7,-3.64,;44.38,-4.43,;43.04,-3.68,)| Show InChI InChI=1S/C19H22ClNO/c1-13(21-17(22)18(2)11-19(3,20)12-18)15-9-8-14-6-4-5-7-16(14)10-15/h4-10,13H,11-12H2,1-3H3,(H,21,22)/t13-,18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486961 (CHEMBL2251863) Show SMILES C[C@@H](NC(=O)[C@]1(C)C[C@@](Cl)(CCl)C1)c1ccc(Br)cc1 |r,wU:8.9,wD:5.4,1.0,(9.94,-41.23,;9.96,-42.77,;8.63,-43.55,;7.29,-42.8,;7.27,-41.26,;5.97,-43.58,;5.95,-45.11,;4.88,-44.67,;3.78,-43.59,;2.68,-42.49,;2.44,-44.35,;1.11,-43.57,;4.87,-42.5,;11.3,-43.52,;11.31,-45.06,;12.65,-45.82,;13.97,-45.03,;15.32,-45.79,;13.95,-43.48,;12.61,-42.74,)| Show InChI InChI=1S/C15H18BrCl2NO/c1-10(11-3-5-12(16)6-4-11)19-13(20)14(2)7-15(18,8-14)9-17/h3-6,10H,7-9H2,1-2H3,(H,19,20)/t10-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078312 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078280 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078303 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078286 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486960 (CHEMBL2251864) Show SMILES CC[C@@]1(C[C@@](C)(Cl)C1)C(=O)N[C@H](C)c1ccc(Br)cc1 |r,wU:2.8,4.5,wD:11.12,(22.61,-45.48,;21.28,-44.7,;21.3,-43.16,;20.21,-44.26,;19.11,-43.18,;17.77,-43.94,;18.01,-42.08,;20.2,-42.08,;22.62,-42.38,;22.6,-40.84,;23.96,-43.14,;25.29,-42.36,;25.27,-40.82,;26.63,-43.11,;26.64,-44.65,;27.98,-45.4,;29.3,-44.62,;30.65,-45.37,;29.28,-43.07,;27.94,-42.32,)| Show InChI InChI=1S/C16H21BrClNO/c1-4-16(9-15(3,18)10-16)14(20)19-11(2)12-5-7-13(17)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,19,20)/t11-,15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078301 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486966 (CHEMBL2114191) Show SMILES C[C@@H](NC(=O)[C@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1 |wU:5.4,wD:7.7,1.0,(6.11,-1.45,;6.11,-2.99,;4.79,-3.76,;3.47,-2.99,;3.47,-1.45,;1.92,-2.99,;.83,-4.07,;-.25,-2.98,;-1.03,-1.65,;-1.34,-4.05,;.84,-1.9,;2.32,-4.47,;2.71,-5.97,;1.28,-5.9,;3.92,-5.2,;7.45,-3.76,;7.45,-5.3,;8.79,-6.07,;10.12,-5.3,;11.45,-6.07,;10.12,-3.76,;8.79,-2.99,)| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486974 (CHEMBL2251862) Show SMILES C[C@@H](NC(=O)[C@@]1(C)C[C@@](Cl)(CCl)C1)c1ccc(Br)cc1 |r,wU:5.4,8.9,wD:1.0,(40.03,-33.88,;40.05,-35.42,;38.72,-36.2,;37.38,-35.45,;37.37,-33.91,;36.06,-36.23,;36.04,-37.76,;34.97,-37.32,;33.88,-36.24,;32.54,-37,;32.78,-35.14,;33.17,-33.65,;34.96,-35.15,;41.39,-36.17,;41.4,-37.71,;42.74,-38.47,;44.07,-37.68,;45.41,-38.44,;44.05,-36.13,;42.7,-35.39,)| Show InChI InChI=1S/C15H18BrCl2NO/c1-10(11-3-5-12(16)6-4-11)19-13(20)14(2)7-15(18,8-14)9-17/h3-6,10H,7-9H2,1-2H3,(H,19,20)/t10-,14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486972 (CHEMBL2251872) Show SMILES COc1cc(Br)ccc1C(C)NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1 |r,wU:14.14,17.19,(13.59,-9.79,;12.27,-10.58,;12.29,-12.12,;13.63,-12.87,;13.65,-14.42,;15,-15.17,;12.33,-15.2,;10.99,-14.45,;10.98,-12.91,;9.64,-12.15,;9.62,-10.61,;8.31,-12.94,;6.97,-12.18,;6.95,-10.64,;5.65,-12.96,;5.63,-14.5,;4.56,-14.06,;3.46,-12.97,;2.12,-13.74,;2.36,-11.88,;4.55,-11.88,)| Show InChI InChI=1S/C16H21BrClNO2/c1-10(12-6-5-11(17)7-13(12)21-4)19-14(20)15(2)8-16(3,18)9-15/h5-7,10H,8-9H2,1-4H3,(H,19,20)/t10?,15-,16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50086741 (((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D799ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078302 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078304 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078297 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078310 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486967 (CHEBI:81799 | DICLOCYMET) Show SMILES C[C@@H](NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)/t9-,12?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078306 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078312 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078281 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078281 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078284 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078284 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Scytalone dehydratase (Magnaporthe grisea)	BDBM50080936 (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 |wD:1.0,(6.11,-1.45,;6.11,-2.99,;4.79,-3.76,;3.47,-2.99,;3.47,-1.45,;1.92,-2.99,;.84,-1.9,;-.25,-2.98,;-1.03,-1.65,;-1.34,-4.05,;.83,-4.07,;2.32,-4.47,;2.71,-5.97,;1.28,-5.9,;3.92,-5.2,;7.45,-3.76,;7.45,-5.3,;8.79,-6.07,;10.12,-5.3,;11.45,-6.07,;10.12,-3.76,;8.79,-2.99,)| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Scytalone dehydratase				Bioorg Med Chem Lett 9: 2509-14 (1999) BindingDB Entry DOI: 10.7270/Q2VD6XNG
					More data for this Ligand-Target Pair				3D Structure (docked)
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486952 (CHEMBL2251854) Show SMILES C[C@H](COc1cc(F)ccc1Cl)NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1 |r,wU:15.15,18.20,wD:1.0,(41.6,-11.34,;41.61,-12.88,;42.95,-13.63,;44.28,-12.85,;45.62,-13.6,;45.63,-15.14,;46.97,-15.89,;46.99,-17.43,;48.3,-15.11,;48.28,-13.56,;46.94,-12.81,;46.91,-11.27,;40.29,-13.66,;38.95,-12.9,;38.93,-11.36,;37.62,-13.68,;37.61,-15.22,;36.53,-14.78,;35.44,-13.7,;34.1,-14.46,;34.34,-12.6,;36.53,-12.6,)| Show InChI InChI=1S/C16H20Cl2FNO2/c1-10(7-22-13-6-11(19)4-5-12(13)17)20-14(21)15(2)8-16(3,18)9-15/h4-6,10H,7-9H2,1-3H3,(H,20,21)/t10-,15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486954 (CHEMBL2251875) Show SMILES C[C@@H](NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Cl)cc1 |r,wU:7.8,wD:1.0,5.4,(29.18,-22.69,;29.2,-24.23,;27.87,-25.01,;26.53,-24.26,;26.51,-22.72,;25.2,-25.04,;24.09,-26.11,;23.02,-25,;21.92,-26.08,;21.68,-24.22,;24.14,-23.93,;25.97,-26.37,;25.21,-27.71,;26.74,-27.7,;27.44,-26.76,;30.54,-24.99,;31.85,-24.2,;33.19,-24.95,;33.21,-26.5,;34.56,-27.25,;31.89,-27.28,;30.55,-26.52,)| Show InChI InChI=1S/C15H16Cl2F3NO/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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078311 (2-Cyano-N-[(1R,2S)-2-(2-cyano-phenoxy)-1-methyl-2-...) Show SMILES CCC(C#N)C(=O)N[C@H](C)[C@@H](Oc1ccccc1C#N)c1ccccc1 Show InChI InChI=1S/C21H21N3O2/c1-3-16(13-22)21(25)24-15(2)20(17-9-5-4-6-10-17)26-19-12-8-7-11-18(19)14-23/h4-12,15-16,20H,3H2,1-2H3,(H,24,25)/t15-,16?,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078300 (2-Cyano-N-[(1R,2S)-2-(2,5-difluoro-phenoxy)-1-meth...) Show SMILES CC(C)C(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1F)c1ccccc1 Show InChI InChI=1S/C21H22F2N2O2/c1-13(2)17(12-24)21(26)25-14(3)20(15-7-5-4-6-8-15)27-19-11-16(22)9-10-18(19)23/h4-11,13-14,17,20H,1-3H3,(H,25,26)/t14-,17?,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078290 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078268 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486953 (CHEMBL2251861) Show SMILES C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1)c1ccc(Br)cc1 |r,wU:5.4,8.9,wD:1.0,(24.86,-34.05,;24.87,-35.59,;23.55,-36.37,;22.21,-35.62,;22.19,-34.08,;20.88,-36.4,;20.87,-37.93,;19.8,-37.5,;18.7,-36.41,;17.36,-37.17,;17.6,-35.31,;19.79,-35.32,;26.22,-36.34,;26.22,-37.88,;27.56,-38.64,;28.89,-37.85,;30.23,-38.61,;28.87,-36.31,;27.53,-35.56,)| Show InChI InChI=1S/C15H19BrClNO/c1-10(11-4-6-12(16)7-5-11)18-13(19)14(2)8-15(3,17)9-14/h4-7,10H,8-9H2,1-3H3,(H,18,19)/t10-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078289 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486956 (CHEMBL2251991) Show SMILES CC(C)C(C)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C#N |r| Show InChI InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)/t10-,15?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078307 (2-Cyano-N-[(1R,2S)-2-(2-cyano-phenoxy)-1-methyl-2-...) Show SMILES C[C@@H](NC(=O)C(C#N)C(C)(C)C)[C@@H](Oc1ccccc1C#N)c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c1-16(26-22(27)19(15-25)23(2,3)4)21(17-10-6-5-7-11-17)28-20-13-9-8-12-18(20)14-24/h5-13,16,19,21H,1-4H3,(H,26,27)/t16-,19?,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078272 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078271 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078269 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078282 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078308 (2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-e...) Show SMILES CC(C)C(C#N)C(=O)N[C@H](C)COc1cc(F)ccc1F Show InChI InChI=1S/C15H18F2N2O2/c1-9(2)12(7-18)15(20)19-10(3)8-21-14-6-11(16)4-5-13(14)17/h4-6,9-10,12H,8H2,1-3H3,(H,19,20)/t10-,12?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DR2TN4
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486962 (CHEMBL2251860) Show SMILES C[C@@H](NC(=O)C1(Cl)CC(C)(Cl)C1)c1ccc(Br)cc1 |r,wD:1.0,(8.76,-34.34,;8.77,-35.88,;7.45,-36.66,;6.11,-35.9,;6.09,-34.36,;4.78,-36.68,;4.77,-38.22,;3.69,-37.78,;2.6,-36.7,;1.26,-37.46,;1.5,-35.6,;3.69,-35.6,;10.12,-36.63,;10.12,-38.17,;11.46,-38.93,;12.79,-38.14,;14.13,-38.9,;12.77,-36.59,;11.43,-35.84,)| Show InChI InChI=1S/C14H16BrCl2NO/c1-9(10-3-5-11(15)6-4-10)18-12(19)14(17)7-13(2,16)8-14/h3-6,9H,7-8H2,1-2H3,(H,18,19)/t9-,13?,14?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486964 (CHEMBL2251855) Show SMILES C[C@H](COc1ccccc1F)NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F |r,wU:16.18,wD:14.14,1.0,(25.38,-23.54,;25.39,-25.08,;26.73,-25.83,;28.05,-25.06,;29.39,-25.81,;29.4,-27.35,;30.74,-28.11,;32.07,-27.32,;32.05,-25.77,;30.7,-25.03,;30.68,-23.48,;24.06,-25.86,;22.71,-25.11,;22.7,-23.56,;21.38,-25.89,;20.27,-26.95,;19.21,-25.84,;18.1,-26.92,;17.87,-25.07,;20.32,-24.78,;22.17,-27.21,;22.95,-28.54,;23.71,-27.19,;21.41,-28.55,)| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078275 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078274 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486968 (CHEMBL2251873) Show SMILES C[C@H](COc1cc(F)ccc1F)NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1 |r,wU:15.15,18.20,wD:1.0,(25.12,-11.31,;25.14,-12.85,;26.48,-13.61,;27.81,-12.82,;29.15,-13.58,;29.16,-15.12,;30.5,-15.87,;30.51,-17.41,;31.82,-15.09,;31.8,-13.54,;30.46,-12.79,;30.44,-11.25,;23.81,-13.64,;22.47,-12.88,;22.45,-11.34,;21.15,-13.66,;21.13,-15.2,;20.06,-14.76,;18.97,-13.68,;17.63,-14.44,;17.87,-12.58,;20.05,-12.58,)| Show InChI InChI=1S/C16H20ClF2NO2/c1-10(7-22-13-6-11(18)4-5-12(13)19)20-14(21)15(2)8-16(3,17)9-15/h4-6,10H,7-9H2,1-3H3,(H,20,21)/t10-,15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50486965 (CHEMBL2251874) Show SMILES C[C@@H](NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1 |r,wU:7.8,wD:5.4,1.0,(24.57,-11.74,;24.59,-13.28,;23.26,-14.06,;21.92,-13.31,;21.9,-11.77,;20.59,-14.09,;19.48,-15.16,;18.41,-14.05,;17.31,-15.13,;17.07,-13.27,;19.53,-12.98,;21.68,-15.17,;21.28,-16.66,;23.16,-14.77,;22.77,-16.26,;25.93,-14.04,;25.93,-15.57,;27.28,-16.33,;28.6,-15.54,;29.95,-16.3,;28.58,-14,;27.24,-13.25,)| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stine Haskell Research Center Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078283 (5-Fluoro-2-hydroxy-N-((R)-1-methyl-2-phenoxy-ethyl...) Show SMILES C[C@H](COc1ccccc1)NC(=O)c1cc(F)ccc1O Show InChI InChI=1S/C16H16FNO3/c1-11(10-21-13-5-3-2-4-6-13)18-16(20)14-9-12(17)7-8-15(14)19/h2-9,11,19H,10H2,1H3,(H,18,20)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2JH3KBD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 99 total )  |  Next  |  Last  >>

Jump to: