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PDB code 2STD

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (172/172 = 100%)
(Magnaporthe grisea)
BDBM50086741
PNG
(((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
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PDB
Article
PubMed
0.0300n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output