Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50486954'   

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)	BDBM50486954 (CHEMBL2251875) Show SMILES C[C@@H](NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Cl)cc1 |r,wU:7.8,wD:1.0,5.4,(29.18,-22.69,;29.2,-24.23,;27.87,-25.01,;26.53,-24.26,;26.51,-22.72,;25.2,-25.04,;24.09,-26.11,;23.02,-25,;21.92,-26.08,;21.68,-24.22,;24.14,-23.93,;25.97,-26.37,;25.21,-27.71,;26.74,-27.7,;27.44,-26.76,;30.54,-24.99,;31.85,-24.2,;33.19,-24.95,;33.21,-26.5,;34.56,-27.25,;31.89,-27.28,;30.55,-26.52,)| Show InChI InChI=1S/C15H16Cl2F3NO/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	PC cid PC sid UniChem	Article PubMed	0.0670	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 Magnaporthe grisea scytalone dehydratase				Bioorg Med Chem 8: 897-907 (2000) Article DOI: 10.1016/s0968-0896(00)00034-1 BindingDB Entry DOI: 10.7270/Q2SX6H4B
					More data for this Ligand-Target Pair