Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50080936'   

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)	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)	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	2.30	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)	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	2.30	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)