Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50086741'   

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)	BDBM50086741 (((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)E...) Show SMILES CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Central Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for its inhibition constant against scytalone dehydratase (SD)				Bioorg Med Chem Lett 10: 491-4 (2000) BindingDB Entry DOI: 10.7270/Q2D799ND
					More data for this Ligand-Target Pair				3D Structure (crystal)