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Compile Data Set for Download or QSAR

Found 37 hits of ic50 for UniProtKB: P09848   
Target/Host
(Institution)
LigandTarget/Host
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
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028177
PNG
(CHEMBL3354622)
Show SMILES C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22+,23-,24+,25+/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028243
PNG
(CHEMBL3354062)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)13-7-2-8-14-30-17-19-11-5-6-12-20(19)18-9-3-1-4-10-18/h1,3-6,9-12,21-24,26-29H,2,7-8,13-17H2/t21-,22+,23-,24-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028173
PNG
(CHEMBL3354063)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)12-5-2-6-13-30-17-18-8-7-11-20(14-18)19-9-3-1-4-10-19/h1,3-4,7-11,14,21-24,26-29H,2,5-6,12-13,15-17H2/t21-,22+,23-,24-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028207
PNG
(CHEMBL3354025)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)13-5-2-6-14-30-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-24,26-29H,2,5-6,13-17H2/t21-,22+,23-,24-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028180
PNG
(CHEMBL3354625)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H32FNO5/c25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028250
PNG
(CHEMBL3354630)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)13-7-2-8-14-30-17-19-11-5-6-12-20(19)18-9-3-1-4-10-18/h1,3-6,9-12,21-24,26-29H,2,7-8,13-17H2/t21-,22-,23+,24+/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028176
PNG
(CHEMBL3354621)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H31F2NO5/c25-24(26,11-4-12-27-13-21(29)23(31)22(30)20(27)14-28)16-32-15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,20-23,28-31H,4,11-16H2/t20-,21+,22-,23-/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028179
PNG
(CHEMBL3354624)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r|
Show InChI InChI=1S/C24H32FNO5/c25-20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028178
PNG
(CHEMBL3354623)
Show SMILES C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22-,23+,24-,25-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028244
PNG
(CHEMBL3354627)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028249
PNG
(CHEMBL3354629)
Show SMILES C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22+,23+,24-,25-/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028257
PNG
(CHEMBL3354637)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H32FNO5/c25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028181
PNG
(CHEMBL3354626)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r|
Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
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 |r|
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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n/an/a 5.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028256
PNG
(CHEMBL3354636)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r|
Show InChI InChI=1S/C24H32FNO5/c25-20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028251
PNG
(CHEMBL3354631)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)12-5-2-6-13-30-17-18-8-7-11-20(14-18)19-9-3-1-4-10-19/h1,3-4,7-11,14,21-24,26-29H,2,5-6,12-13,15-17H2/t21-,22-,23+,24+/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
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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n/an/a 6.20E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028253
PNG
(CHEMBL3354633)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H31F2NO5/c25-24(26,11-4-12-27-13-21(29)23(31)22(30)20(27)14-28)16-32-15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,20-23,28-31H,4,11-16H2/t20-,21-,22+,23+/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028218
PNG
(CHEMBL3354038)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H33NO5/c26-16-21-23(28)24(29)22(27)15-25(21)13-5-2-6-14-30-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-24,26-29H,2,5-6,13-17H2/t21-,22-,23+,24+/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028252
PNG
(CHEMBL3354632)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H31F2NO5/c25-24(26,16-27-13-21(29)23(31)22(30)20(27)14-28)11-4-12-32-15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,20-23,28-31H,4,11-16H2/t20-,21-,22+,23+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028248
PNG
(CHEMBL3354628)
Show SMILES C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22-,23-,24+,25+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028175
PNG
(CHEMBL3354620)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H31F2NO5/c25-24(26,16-27-13-21(29)23(31)22(30)20(27)14-28)11-4-12-32-15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,20-23,28-31H,4,11-16H2/t20-,21+,22-,23-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028255
PNG
(CHEMBL3354635)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028254
PNG
(CHEMBL3354634)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r|
Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1
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n/an/a 1.25E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50312527
PNG
(CHEMBL1086996 | N-[5-(Adamantan-1-yl-methoxy)-pent...)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19-,20+,21+,22?/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50312529
PNG
(CHEMBL1088158 | N-[5-(Adamantan-1-yl-methoxy)-pent...)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20+,21-,22?/m1/s1
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n/an/a 3.75E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50163445
PNG
((2S,3S,4R,5S)-2-Hydroxymethyl-piperidine-3,4,5-tri...)
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+/m0/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50312525
PNG
((2S,3R,4R,5S)-2-Hydroxymethyl-piperidine-3,4,5-tri...)
Show SMILES OC[C@@H]1NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50312526
PNG
(CHEMBL1076754 | N-Butyl-L-ido-1-deoxynojirimycin)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8-,9+,10+/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50312530
PNG
(CHEMBL1088291 | N-Butyl-L-altro-1-deoxynojirimycin)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8-,9-,10+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50312531
PNG
(CHEMBL1088292 | N-[5-(Adamantan-1-yl-methoxy)-pent...)
Show SMILES OC[C@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19-,20-,21+,22?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50312527
PNG
(CHEMBL1086996 | N-[5-(Adamantan-1-yl-methoxy)-pent...)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19-,20+,21+,22?/m0/s1
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50312528
PNG
(CHEMBL1086997 | N-Butyl-D-galacto-1-deoxynojirimyc...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lactase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair