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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'fantur' and Initial = 'k'   
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
Beta-galactosidase


(Escherichia coli (Enterobacteria))
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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220n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry


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


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli (Enterobacteria))
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 |r|
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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270n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry


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


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
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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300n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...


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


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50246569
PNG
(CHEMBL505422 | Methyl 6-[N2-dansyl-N6-(1,5-dideoxy...)
Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r|
Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29-,30+/m0/s1
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600n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...


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


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
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 |r|
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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700n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...


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


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50356097
PNG
(CHEMBL461161)
Show SMILES COC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r|
Show InChI InChI=1S/C25H37N3O8S/c1-27(2)19-11-6-9-17-16(19)8-7-12-22(17)37(34,35)26-18(25(33)36-3)10-4-5-13-28-14-21(30)24(32)23(31)20(28)15-29/h6-9,11-12,18,20-21,23-24,26,29-32H,4-5,10,13-15H2,1-3H3/t18-,20+,21-,23-,24+/m0/s1
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700n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...


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


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Alpha-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)


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Alpha-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 |r|
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)


Article DOI: 10.1016/j.bmcl.2011.09.012
BindingDB Entry DOI: 10.7270/Q24B31RQ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50246569
PNG
(CHEMBL505422 | Methyl 6-[N2-dansyl-N6-(1,5-dideoxy...)
Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r|
Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29-,30+/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta galactosidase


Bioorg Med Chem 16: 10216-20 (2008)


Article DOI: 10.1016/j.bmc.2008.10.054
BindingDB Entry DOI: 10.7270/Q2DZ085J
More data for this
Ligand-Target Pair