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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50078300'   
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)		BDBM50078300
PNG
(2-Cyano-N-[(1R,2S)-2-(2,5-difluoro-phenoxy)-1-meth...)
Show SMILES CC(C)C(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1F)c1ccccc1
Show InChI InChI=1S/C21H22F2N2O2/c1-13(2)17(12-24)21(26)25-14(3)20(15-7-5-4-6-8-15)27-19-11-16(22)9-10-18(19)23/h4-11,13-14,17,20H,1-3H3,(H,25,26)/t14-,17?,20-/m1/s1
PDB
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KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
 0.0760n/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