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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Scytalone dehydratase' and Ligand = 'BDBM50078298'   
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)		BDBM50078298
PNG
(2-Cyano-2-cyclopropyl-N-[(1R,2S)-2-(2,5-difluoro-p...)
Show SMILES C[C@@H](NC(=O)C(C#N)C1CC1)[C@@H](Oc1cc(F)ccc1F)c1ccccc1
Show InChI InChI=1S/C21H20F2N2O2/c1-13(25-21(26)17(12-24)14-7-8-14)20(15-5-3-2-4-6-15)27-19-11-16(22)9-10-18(19)23/h2-6,9-11,13-14,17,20H,7-8H2,1H3,(H,25,26)/t13-,17?,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.0140n/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