Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50486952'   

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)	BDBM50486952 (CHEMBL2251854) Show SMILES C[C@H](COc1cc(F)ccc1Cl)NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1 |r,wU:15.15,18.20,wD:1.0,(41.6,-11.34,;41.61,-12.88,;42.95,-13.63,;44.28,-12.85,;45.62,-13.6,;45.63,-15.14,;46.97,-15.89,;46.99,-17.43,;48.3,-15.11,;48.28,-13.56,;46.94,-12.81,;46.91,-11.27,;40.29,-13.66,;38.95,-12.9,;38.93,-11.36,;37.62,-13.68,;37.61,-15.22,;36.53,-14.78,;35.44,-13.7,;34.1,-14.46,;34.34,-12.6,;36.53,-12.6,)| Show InChI InChI=1S/C16H20Cl2FNO2/c1-10(7-22-13-6-11(19)4-5-12(13)17)20-14(21)15(2)8-16(3,18)9-15/h4-6,10H,7-9H2,1-3H3,(H,20,21)/t10-,15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0570	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
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