Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50078294'   

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)	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