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Compile Data Set for Download or QSAR

Found 5 hits of ki data for polymerid = 5862   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50163440
PNG
((2R,3S,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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PubMed
13n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase green coffee beans


Bioorg Med Chem Lett 20: 4077-9 (2010)

More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50321618
PNG
(CHEMBL1172470 | N-(N'-Biotinylaminoethyl)-aminocar...)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCC(=O)NCCNC(=O)CCCCC1SCC2NC(=O)NC12
Show InChI InChI=1S/C24H43N5O7S/c30-13-16-22(34)23(35)17(31)12-29(16)11-5-1-2-7-19(32)25-9-10-26-20(33)8-4-3-6-18-21-15(14-37-18)27-24(36)28-21/h15-18,21-23,30-31,34-35H,1-14H2,(H,25,32)(H,26,33)(H2,27,28,36)/t15?,16-,17+,18?,21?,22+,23-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase green coffee beans


Bioorg Med Chem Lett 20: 4077-9 (2010)

More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50182795
PNG
(5-(dimethylamino)-N-(6-((2R,3S,4R,5S)-3,4,5-trihyd...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C24H37N3O6S/c1-26(2)19-11-7-10-18-17(19)9-8-12-22(18)34(32,33)25-13-5-3-4-6-14-27-15-21(29)24(31)23(30)20(27)16-28/h7-12,20-21,23-25,28-31H,3-6,13-16H2,1-2H3/t20-,21+,23+,24-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry


Bioorg Med Chem Lett 21: 6872-5 (2011)

More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50356096
PNG
(CHEMBL1911831)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C30H48N4O7S/c1-33(2)24-14-10-13-23-22(24)12-11-15-27(23)42(40,41)32-18-8-4-3-7-17-31-28(37)16-6-5-9-19-34-20-26(36)30(39)29(38)25(34)21-35/h10-15,25-26,29-30,32,35-36,38-39H,3-9,16-21H2,1-2H3,(H,31,37)/t25-,26+,29+,30-/m1/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry


Bioorg Med Chem Lett 21: 6872-5 (2011)

More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50437446
PNG
(CHEMBL2409341)
Show SMILES O[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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PC sid
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5.40E+4n/an/an/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of coffee bean alpha-galactosidase


Bioorg Med Chem 21: 4803-12 (2013)

More data for this
Ligand-Target Pair