Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50078285'   

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)	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
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