Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50078303'   

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)	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
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