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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50078308'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Scytalone dehydratase


(Magnaporthe grisea)		BDBM50078308
PNG
(2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-e...)
Show SMILES CC(C)C(C#N)C(=O)N[C@H](C)COc1cc(F)ccc1F
Show InChI InChI=1S/C15H18F2N2O2/c1-9(2)12(7-18)15(20)19-10(3)8-21-14-6-11(16)4-5-13(14)17/h4-6,9-10,12H,8H2,1-3H3,(H,19,20)/t10-,12?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.270n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea

Bioorg Med Chem Lett 9: 1613-8 (1999)


BindingDB Entry DOI: 10.7270/Q2DR2TN4
More data for this
Ligand-Target Pair