Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'bisaha' and Initial = 'jj'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
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)	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)	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)	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)	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)	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)	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)	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
Scytalone dehydratase (Magnaporthe grisea)	BDBM50078277 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	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)	BDBM50078294 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.580	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)	BDBM50078294 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.580	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)	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	0.730	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)	BDBM50078279 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.830	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)	BDBM50078293 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.950	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)	BDBM50078288 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	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)	BDBM50078270 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	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)	BDBM50078291 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	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)	BDBM50078292 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	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)	BDBM50078295 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20	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)	BDBM50078273 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	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)	BDBM50078287 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70	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)	BDBM50078285 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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)	BDBM50078296 ((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	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)	BDBM50078276 ((S)-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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	66	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)	BDBM50078278 ((S)-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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97	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