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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50078282'   
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)		BDBM50078282
PNG
(2-Cyano-N-[2-(2-fluoro-phenoxy)-1-methyl-ethyl]-3,...)
Show SMILES CC(COc1ccccc1F)NC(=O)C(C#N)C(C)(C)C
Show InChI InChI=1S/C16H21FN2O2/c1-11(10-21-14-8-6-5-7-13(14)17)19-15(20)12(9-18)16(2,3)4/h5-8,11-12H,10H2,1-4H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.240n/an/an/an/an/an/an/an/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