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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with Target = 'Beta-galactosidase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


(Homo sapiens)
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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300n/an/an/an/an/an/an/an/a



Amicus Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human beta galactosidase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-galactosidase


(Homo sapiens)
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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
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
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(R201C)


(Homo sapiens (Human))
BDBM228800
PNG
(NOEV | Sapienic acid (SpA))
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940 -35.8n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)


(Homo sapiens (Human))
BDBM228800
PNG
(NOEV | Sapienic acid (SpA))
GoogleScholar
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PC sid
UniChem
AffyNet 
1.10E+3 -35.4n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(I51T)


(Homo sapiens (Human))
BDBM228800
PNG
(NOEV | Sapienic acid (SpA))
GoogleScholar
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AffyNet 
1.20E+3 -35.2n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50403936
PNG
(CHEMBL2114148)
Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1
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6.40E+3n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition constant of the compound against Beta-galactosidase from Jack beans; Mixed (Non competitive and competitive)


Bioorg Med Chem Lett 12: 2335-9 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50403936
PNG
(CHEMBL2114148)
Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1
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6.60E+3n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition constant of the compound against beta-Galactosidase from Aspergillus orizae; Mixed (Non competitive and competitive)


Bioorg Med Chem Lett 12: 2335-9 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50075942
PNG
(CHEMBL165192 | N-[2,5-Dihydroxy-6-hydroxymethyl-4-...)
Show SMILES CC(=O)N[C@H]1C(O)O[C@H](C(O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H27NO10/c1-5(19)16-10-6(14(7(20)3-17)26-15(10)24)2-8-11(21)13(23)12(22)9(4-18)25-8/h6-15,17-18,20-24H,2-4H2,1H3,(H,16,19)/t6-,7?,8-,9-,10-,11-,12-,13-,14+,15?/m1/s1
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7.50E+3n/an/an/an/an/an/an/an/a



Institut de chimie organique de l'Université de Lausanne

Curated by ChEMBL


Assay Description
Inhibition constant of the compound against beta-galactosidase enzyme of jack bean was reported


Bioorg Med Chem Lett 9: 793-6 (1999)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50403937
PNG
(CHEMBL2114149)
Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition constant of the compound against Beta-galactosidase from Aspergillus orizae; Mixed (both competitive and non-competitive)


Bioorg Med Chem Lett 12: 2335-9 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50104296
PNG
(2-(2,2-Dihydroxy-ethyl)-pyrrolidine-3,4-diol | CHE...)
Show SMILES OC(O)CC1NCC(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-4-2-7-3(6(4)11)1-5(9)10/h3-11H,1-2H2
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2.50E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-galactosidase from Jack bean


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(I51T)


(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
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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4.47E+4 -25.8n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(R201C)


(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
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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4.90E+4 -25.6n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(R201C)


(Homo sapiens (Human))
BDBM228802
PNG
(5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...)
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5.33E+4 -25.4n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)


(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
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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6.18E+4 -25.0n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)


(Homo sapiens (Human))
BDBM228802
PNG
(5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...)
GoogleScholar
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6.83E+4 -24.7n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(I51T)


(Homo sapiens (Human))
BDBM228802
PNG
(5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...)
GoogleScholar
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PC cid
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PDB
UniChem
AffyNet 
6.88E+4 -24.7n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50073992
PNG
(((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...)
Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1
Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1
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7.20E+4n/an/an/an/an/an/an/an/a



Institut de chimie organique de l'Université de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase from Aspergillus orizae


Bioorg Med Chem Lett 9: 277-8 (1999)

More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)


(Homo sapiens (Human))
BDBM228803
PNG
(5N,6S-(N'-butyliminomethylidene)-6-thiogalacto...)
GoogleScholar
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2.53E+5 -21.4n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(I51T)


(Homo sapiens (Human))
BDBM228803
PNG
(5N,6S-(N'-butyliminomethylidene)-6-thiogalacto...)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
3.20E+5 -20.8n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(R201C)


(Homo sapiens (Human))
BDBM228803
PNG
(5N,6S-(N'-butyliminomethylidene)-6-thiogalacto...)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
3.20E+5 -20.7n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(I51T)


(Homo sapiens (Human))
BDBM228804
PNG
(N-(N'-butylthiocarbamoyl)-1-deoxygalactonojiri...)
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3.29E+5 -20.7n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50298560
PNG
(1-(beta-D-galactopyranosyl)-4-phenyl-1,2,3-triazol...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2/t10-,11+,12+,13-,14-/m1/s1
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3.30E+5n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase


Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)


(Homo sapiens (Human))
BDBM228804
PNG
(N-(N'-butylthiocarbamoyl)-1-deoxygalactonojiri...)
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3.73E+5 -20.4n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(R201C)


(Homo sapiens (Human))
BDBM228804
PNG
(N-(N'-butylthiocarbamoyl)-1-deoxygalactonojiri...)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
3.88E+5 -20.3n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)


(Homo sapiens (Human))
BDBM228805
PNG
(Galactose)
GoogleScholar
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4.14E+6 -14.1n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(I51T)


(Homo sapiens (Human))
BDBM228805
PNG
(Galactose)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
4.91E+6 -13.7n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(R201C)


(Homo sapiens (Human))
BDBM228805
PNG
(Galactose)
GoogleScholar
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PC sid
UniChem
AffyNet 
5.61E+6 -13.4n/an/an/an/an/a4.537


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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n/an/a 125n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-galactosidase


(Homo sapiens)
BDBM50150470
PNG
(CHEMBL3771185)
PDB

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n/an/a 210n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50150471
PNG
(CHEMBL3770764)
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n/an/a 2.42E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50075942
PNG
(CHEMBL165192 | N-[2,5-Dihydroxy-6-hydroxymethyl-4-...)
Show SMILES CC(=O)N[C@H]1C(O)O[C@H](C(O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H27NO10/c1-5(19)16-10-6(14(7(20)3-17)26-15(10)24)2-8-11(21)13(23)12(22)9(4-18)25-8/h6-15,17-18,20-24H,2-4H2,1H3,(H,16,19)/t6-,7?,8-,9-,10-,11-,12-,13-,14+,15?/m1/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Institut de chimie organique de l'Université de Lausanne

Curated by ChEMBL


Assay Description
Concentration required to inhibit beta-galactosidase enzyme by 50% from jack bean was reported


Bioorg Med Chem Lett 9: 793-6 (1999)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50403936
PNG
(CHEMBL2114148)
Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibitor concentration of compound against beta-Galactosidase from Jack beans


Bioorg Med Chem Lett 12: 2335-9 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50403936
PNG
(CHEMBL2114148)
Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibitor concentration of the compound against Beta-galactosidase from Aspergillus orizae


Bioorg Med Chem Lett 12: 2335-9 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50111607
PNG
(3,4-Dichloro-N-[5-(5-chloro-benzothiazol-2-ylsulfa...)
Show SMILES Clc1ccc2sc(Sc3nnc(NC(=O)c4ccc(Cl)c(Cl)c4)s3)nc2c1
Show InChI InChI=1S/C16H7Cl3N4OS3/c17-8-2-4-12-11(6-8)20-15(25-12)27-16-23-22-14(26-16)21-13(24)7-1-3-9(18)10(19)5-7/h1-6H,(H,21,22,24)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Beta-galactosidase


J Med Chem 45: 1712-22 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50403937
PNG
(CHEMBL2114149)
Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibitor concentration of the compound against Beta-galactosidase from Aspergillus niger


Bioorg Med Chem Lett 12: 2335-9 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50182798
PNG
((3R,4r,5S)-piperidine-3,4,5-triol | 1,5-Dideoxy-1,...)
Show SMILES O[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of beta-galactosidase from aspergillus oryzae (sigma G 7256).


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50073992
PNG
(((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...)
Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1
Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Institut de chimie organique de l'Université de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase from Aspergillus niger


Bioorg Med Chem Lett 9: 277-8 (1999)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50288855
PNG
(1-Butyl-piperidine-3,4,5-triol | CHEMBL152232)
Show SMILES CCCCN1CC(O)C(O)C(O)C1
Show InChI InChI=1S/C9H19NO3/c1-2-3-4-10-5-7(11)9(13)8(12)6-10/h7-9,11-13H,2-6H2,1H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of beta-galactosidase from aspergillus oryzae (sigma G 7256).


Citation and Details
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 5.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Beta-galactosidase


J Med Chem 45: 1712-22 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50111606
PNG
(4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospi...)
Show SMILES [O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I
Show InChI InChI=1S/C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28/h1-2,29-30H/p-2
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n/an/a 8.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Beta-galactosidase


J Med Chem 45: 1712-22 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50111585
PNG
(4-(4-Bromo-phenylazo)-phenol | 4-bromophenylazophe...)
Show SMILES Oc1ccc(cc1)N=Nc1ccc(Br)cc1
Show InChI InChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H
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n/an/a 9.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Beta-galactosidase


J Med Chem 45: 1712-22 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
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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n/an/a 9.00E+4n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human beta-galactosidase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-galactosidase


(Homo sapiens)
BDBM50079267
PNG
(Congo Red | Direct red 28 | Kongorot | Sodium diph...)
Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Beta-galactosidase


J Med Chem 45: 1712-22 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50104296
PNG
(2-(2,2-Dihydroxy-ethyl)-pyrrolidine-3,4-diol | CHE...)
Show SMILES OC(O)CC1NCC(O)C1O
Show InChI InChI=1S/C6H13NO4/c8-4-2-7-3(6(4)11)1-5(9)10/h3-11H,1-2H2
PDB

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n/an/a 1.10E+5n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-galactosidase from Jack bean


Bioorg Med Chem Lett 11: 2489-93 (2001)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50369776
PNG
(CHEMBL298301)
Show SMILES [O-][N+](=O)c1ccc(NN2C(=O)C3C(C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H6Cl6N4O6/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(26)23(12(8)27)22-5-2-1-4(24(28)29)3-6(5)25(30)31/h1-3,7-8,22H/t7?,8?,13-,14+
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n/an/a 1.50E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Beta-galactosidase


J Med Chem 45: 1712-22 (2002)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50073992
PNG
(((3aS,4aS,7aS,7bR)-6,6-Dimethyl-3a,4a,7a,7b-tetrah...)
Show SMILES CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1
Show InChI InChI=1S/C9H13NO5/c1-9(2)13-7-6-5(12-8(7)14-9)4(3-11)10-15-6/h5-8,11H,3H2,1-2H3/t5-,6+,7-,8-/m0/s1
PDB

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n/an/a 1.50E+5n/an/an/an/an/an/a



Institut de chimie organique de l'Université de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase from Aspergillus orizae


Bioorg Med Chem Lett 9: 277-8 (1999)

More data for this
Ligand-Target Pair
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