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PubMed code 27789075

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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


(Bos taurus (Bovine))		BDBM50204206
PNG
(CHEMBL3896958)
Show SMILES [H][C@@]12CS\C(=N\CCCCCCCCCCCC)N1[C@@H](CO)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C19H36N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-20-19-21-15(13-22)17(23)18(24)16(21)14-25-19/h15-18,22-24H,2-14H2,1H3/b20-19+/t15-,16-,17-,18-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204109
PNG
(CHEMBL3935498)
Show SMILES CCCCCCCCCCCCNC(=S)N1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C19H38N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-20-19(26)21-15(13-22)17(24)18(25)16(21)14-23/h15-18,22-25H,2-14H2,1H3,(H,20,26)/t15-,16-,17-,18-/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204204
PNG
(CHEMBL3891002)
Show SMILES CCCCCCCCCCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C19H38N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-20-19(26)21-15(13-22)17(24)18(25)16(21)14-23/h15-18,22-25H,2-14H2,1H3,(H,20,26)/t15-,16-,17-,18-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204212
PNG
(CHEMBL3901083)
Show SMILES [H][C@]12CS\C(=N\CCCCCCCCCCCC)N1[C@H](CO)[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C19H36N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-20-19-21-15(13-22)17(23)18(24)16(21)14-25-19/h15-18,22-24H,2-14H2,1H3/b20-19+/t15-,16-,17-,18-/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204205
PNG
(CHEMBL3909011)
Show SMILES [H][C@@]12CS\C(=N\CCCCCCCCCC)N1[C@@H](CO)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C17H32N2O3S/c1-2-3-4-5-6-7-8-9-10-18-17-19-13(11-20)15(21)16(22)14(19)12-23-17/h13-16,20-22H,2-12H2,1H3/b18-17+/t13-,14-,15-,16-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204210
PNG
(CHEMBL3970812)
Show SMILES CCCCCCCCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C17H34N2O4S/c1-2-3-4-5-6-7-8-9-10-18-17(24)19-13(11-20)15(22)16(23)14(19)12-21/h13-16,20-23H,2-12H2,1H3,(H,18,24)/t13-,14-,15-,16-/m0/s1
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n/an/a 6.10E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204113
PNG
(CHEMBL3897971)
Show SMILES [H][C@]12CS\C(=N\CCCCCCCCCC)N1[C@H](CO)[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C17H32N2O3S/c1-2-3-4-5-6-7-8-9-10-18-17-19-13(11-20)15(21)16(22)14(19)12-23-17/h13-16,20-22H,2-12H2,1H3/b18-17+/t13-,14-,15-,16-/m1/s1
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n/an/a 9.30E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204209
PNG
(CHEMBL3907555)
Show SMILES CCCCCCCCCCNC(=S)N1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C17H34N2O4S/c1-2-3-4-5-6-7-8-9-10-18-17(24)19-13(11-20)15(22)16(23)14(19)12-21/h13-16,20-23H,2-12H2,1H3,(H,18,24)/t13-,14-,15-,16-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204111
PNG
(CHEMBL3961105)
Show SMILES CCCCCCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C15H30N2O4S/c1-2-3-4-5-6-7-8-16-15(22)17-11(9-18)13(20)14(21)12(17)10-19/h11-14,18-21H,2-10H2,1H3,(H,16,22)/t11-,12-,13-,14-/m0/s1
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n/an/a 2.66E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204211
PNG
(CHEMBL3944457)
Show SMILES CCCCCCCCNC(=S)N1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C15H30N2O4S/c1-2-3-4-5-6-7-8-16-15(22)17-11(9-18)13(20)14(21)12(17)10-19/h11-14,18-21H,2-10H2,1H3,(H,16,22)/t11-,12-,13-,14-/m1/s1
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n/an/a 4.14E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204114
PNG
(CHEMBL3972215)
Show SMILES CCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C11H22N2O4S/c1-2-3-4-12-11(18)13-7(5-14)9(16)10(17)8(13)6-15/h7-10,14-17H,2-6H2,1H3,(H,12,18)/t7-,8-,9-,10-/m0/s1
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n/an/a 4.73E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204110
PNG
(CHEMBL3905255)
Show SMILES CCCCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C13H26N2O4S/c1-2-3-4-5-6-14-13(20)15-9(7-16)11(18)12(19)10(15)8-17/h9-12,16-19H,2-8H2,1H3,(H,14,20)/t9-,10-,11-,12-/m0/s1
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n/an/a 5.72E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204207
PNG
(CHEMBL3980259)
Show SMILES [H][C@@]12CS\C(=N\CCCCCC)N1[C@@H](CO)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C13H24N2O3S/c1-2-3-4-5-6-14-13-15-9(7-16)11(17)12(18)10(15)8-19-13/h9-12,16-18H,2-8H2,1H3/b14-13+/t9-,10-,11-,12-/m0/s1
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n/an/a 5.99E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204208
PNG
(CHEMBL3910143)
Show SMILES [H][C@@]12CS\C(=N\CCCC)N1[C@@H](CO)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-7(5-14)9(15)10(16)8(13)6-17-11/h7-10,14-16H,2-6H2,1H3/b12-11+/t7-,8-,9-,10-/m0/s1
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n/an/a 7.19E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))		BDBM50204112
PNG
(CHEMBL3916518)
Show SMILES CCCCCCNC(=S)N1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C13H26N2O4S/c1-2-3-4-5-6-14-13(20)15-9(7-16)11(18)12(19)10(15)8-17/h9-12,16-19H,2-8H2,1H3,(H,14,20)/t9-,10-,11-,12-/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method

Bioorg Med Chem 25: 107-115 (2017)


Article DOI: 10.1016/j.bmc.2016.10.015
BindingDB Entry DOI: 10.7270/Q26H4KC4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%