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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Trehalase' AND taxid = 9606   
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
Trehalase


(Homo sapiens)
BDBM50286541
PNG
(6-(4,5-Dihydroxy-6-hydroxymethyl-tetrahydro-pyran-...)
Show SMILES OCC1OCC(NC2C=C(CO)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C13H23NO8/c15-2-5-1-6(10(18)13(21)9(5)17)14-7-4-22-8(3-16)12(20)11(7)19/h1,6-21H,2-4H2
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Article
180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of trehalase from porcine kidneys


Citation and Details
More data for this
Ligand-Target Pair
Trehalase


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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KEGG
MMDB
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PC sid
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Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against trehalase from porcine kidney


Citation and Details
More data for this
Ligand-Target Pair
Trehalase


(Homo sapiens)
BDBM50156355
PNG
(2-Butyl-6-hydroxymethyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCC1NC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-6-8(13)10(15)9(14)7(5-12)11-6/h6-15H,2-5H2,1H3
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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 7.80E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against trehalase from porcine kidney


Citation and Details
More data for this
Ligand-Target Pair