Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50078268'   

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)	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
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