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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Trehalose-phosphatase' AND taxid = 6279   
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
Trehalose-phosphatase


(Brugia malayi)
BDBM50235453
PNG
(CHEMBL4086163)
Show SMILES CCCCCCCCc1ccc(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H32O9S/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)28-20-19(23)18(22)17(21)16(29-20)13-27-30(24,25)26/h9-12,16-23H,2-8,13H2,1H3,(H,24,25,26)/t16-,17-,18+,19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents

PubMed
5.30E+3n/an/an/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 128: 274-286 (2017)

More data for this
Ligand-Target Pair
Trehalose-phosphatase


(Brugia malayi)
BDBM50235452
PNG
(CHEMBL4104072)
Show SMILES CCCCCCCCc1ccc(O[C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H32O9S/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)28-20-19(23)18(22)17(21)16(29-20)13-27-30(24,25)26/h9-12,16-23H,2-8,13H2,1H3,(H,24,25,26)/t16-,17-,18+,19-,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
6.00E+4n/an/an/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 128: 274-286 (2017)

More data for this
Ligand-Target Pair
Trehalose-phosphatase


(Brugia malayi)
BDBM50235454
PNG
(CHEMBL4096324)
Show SMILES CCCCCCc1ccc(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H28O9S/c1-2-3-4-5-6-12-7-9-13(10-8-12)26-18-17(21)16(20)15(19)14(27-18)11-25-28(22,23)24/h7-10,14-21H,2-6,11H2,1H3,(H,22,23,24)/t14-,15-,16+,17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
8.00E+4n/an/an/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 128: 274-286 (2017)

More data for this
Ligand-Target Pair
Trehalose-phosphatase


(Brugia malayi)
BDBM50235456
PNG
(CHEMBL4067008)
Show SMILES OC[C@H]1O[C@H](O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H22O14S/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
8.00E+4n/an/an/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 128: 274-286 (2017)

More data for this
Ligand-Target Pair
Trehalose-phosphatase


(Brugia malayi)
BDBM50235451
PNG
(CHEMBL4063866)
Show SMILES O[C@H]1[C@H](O)[C@@H](COS(O)(=O)=O)O[C@H](OCc2ccccc2)[C@@H]1O
Show InChI InChI=1S/C13H18O9S/c14-10-9(7-21-23(17,18)19)22-13(12(16)11(10)15)20-6-8-4-2-1-3-5-8/h1-5,9-16H,6-7H2,(H,17,18,19)/t9-,10-,11+,12-,13+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.60E+5n/an/an/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 128: 274-286 (2017)

More data for this
Ligand-Target Pair
Trehalose-phosphatase


(Brugia malayi)
BDBM50235455
PNG
(CHEMBL4078273)
Show SMILES CCCCCCc1ccc(O[C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H28O9S/c1-2-3-4-5-6-12-7-9-13(10-8-12)26-18-17(21)16(20)15(19)14(27-18)11-25-28(22,23)24/h7-10,14-21H,2-6,11H2,1H3,(H,22,23,24)/t14-,15-,16+,17-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.00E+5n/an/an/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 128: 274-286 (2017)

More data for this
Ligand-Target Pair
Trehalose-phosphatase


(Brugia malayi)
BDBM50235457
PNG
(CHEMBL4094282)
Show SMILES O[C@H]1[C@H](O)[C@@H](COS(O)(=O)=O)O[C@H](Oc2ccccc2)[C@@H]1O
Show InChI InChI=1S/C12H16O9S/c13-9-8(6-19-22(16,17)18)21-12(11(15)10(9)14)20-7-4-2-1-3-5-7/h1-5,8-15H,6H2,(H,16,17,18)/t8-,9-,10+,11-,12+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
3.20E+5n/an/an/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 128: 274-286 (2017)

More data for this
Ligand-Target Pair
Trehalose-phosphatase


(Brugia malayi)
BDBM50235458
PNG
(CHEMBL4061067)
Show SMILES O[C@H]1[C@H](O)[C@@H](COS(O)(=O)=O)O[C@@H](Oc2ccccc2)[C@@H]1O
Show InChI InChI=1S/C12H16O9S/c13-9-8(6-19-22(16,17)18)21-12(11(15)10(9)14)20-7-4-2-1-3-5-7/h1-5,8-15H,6H2,(H,16,17,18)/t8-,9-,10+,11-,12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
8.00E+5n/an/an/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 128: 274-286 (2017)

More data for this
Ligand-Target Pair
Trehalose-phosphatase


(Brugia malayi)
BDBM50235450
PNG
(CHEBI:16551 | TREHALOSE)
Show SMILES OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 128: 274-286 (2017)

More data for this
Ligand-Target Pair