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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'chakrabarti' and Initial = 's'   
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
Maltase-glucoamylase


(Homo sapiens (Human))		BDBM50486898
PNG
(Broussonol E | CHEBI:66727)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(cc(-[#8])c1-[#8])-c1oc2cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c(=O)c1-[#8]
Show InChI InChI=1S/C25H26O7/c1-12(2)5-7-14-9-15(10-18(27)21(14)28)25-24(31)23(30)20-19(32-25)11-17(26)16(22(20)29)8-6-13(3)4/h5-6,9-11,26-29,31H,7-8H2,1-4H3
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 2.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D glucopyranoside as substrate incubated for 30 mins by Linewea...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))		BDBM50550994
PNG
(CHEMBL4760193)
Show SMILES CCC(C)(C)c1c(O)cc(O)c2c1oc(-c1cc(O)c(O)c(C\C=C\C)c1)c(O)c2=O
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 4.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D glucopyranoside as substrate incubated for 30 mins by Linewea...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))		BDBM50121025
PNG
((E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-pheny...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8])c2)c(-[#8])cc1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-6-14-10-15(19(24)11-18(14)23)16(21)7-4-13-5-8-17(22)20(25)9-13/h3-5,7-11,22-25H,6H2,1-2H3/b7-4+
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 5.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non-competitive inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D glucopyranoside as substrate incubated for 30 mins by Li...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))		BDBM50550995
PNG
(L-RADICAMINE A)
Show SMILES COc1ccc(cc1O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of alpha-glucosidase (unknown origin) using sucrose as substrate incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))		BDBM50550996
PNG
(CHEMBL4783560)
Show SMILES OC[C@@H]1N[C@H]([C@H](O)[C@H]1O)c1ccc(O)cc1 |r|
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n/an/a 9.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of alpha-glucosidase (unknown origin) using sucrose as substrate incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50551003
PNG
(CHEMBL4748590)
Show SMILES Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1ccc(CO)n1CCc1c[nH]c2ccccc12
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n/an/a 1.29E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50551001
PNG
(CHEMBL4745549)
Show SMILES OCc1ccc2CO[C@@H](Cn12)c1ccc(O)cc1 |r|
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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50071931
PNG
(CHEMBL3407639)
Show SMILES Clc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H14ClN3OS/c22-17-11-5-14(6-12-17)13-23-25-20(26)15-7-9-16(10-8-15)21-24-18-3-1-2-4-19(18)27-21/h1-13H,(H,25,26)/b23-13+
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n/an/a 1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50551001
PNG
(CHEMBL4745549)
Show SMILES OCc1ccc2CO[C@@H](Cn12)c1ccc(O)cc1 |r|
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n/an/a 2.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50551005
PNG
(CHEMBL4757703)
Show SMILES Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1ccc(CO)n1-c1ccc(O)cc1
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n/an/a 2.17E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50550996
PNG
(CHEMBL4783560)
Show SMILES OC[C@@H]1N[C@H]([C@H](O)[C@H]1O)c1ccc(O)cc1 |r|
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50551000
PNG
(CHEMBL4751456)
Show SMILES CC(C)c1ccc(\C=C2/C(=O)Nc3cc(Cl)ccc23)cc1
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50550998
PNG
(CHEMBL4788384)
Show SMILES Oc1ccc(\C=C2/C(=O)Nc3cc(Cl)ccc23)cc1O
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50550995
PNG
(L-RADICAMINE A)
Show SMILES COc1ccc(cc1O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50550999
PNG
(CHEMBL4796653)
Show SMILES [O-][N+](=O)c1ccccc1\C=C1/C(=O)Nc2cc(Cl)ccc12
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50551006
PNG
(CHEMBL4800248)
Show SMILES CCOC(=O)c1ccc(cc1)-n1c(CO)ccc1\C=C1/OC(=O)c2c1cc(C)[nH]c2=O
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n/an/a 3.04E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM32021
PNG
(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
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n/an/a 3.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50005886
PNG
(1,8-Dihydroxy-3-methoxy-6-methylanthraquinone | 1,...)
Show SMILES COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
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n/an/a 3.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 3.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50085551
PNG
(1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...)
Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
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n/an/a 3.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50551004
PNG
(CHEMBL4758678)
Show SMILES Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1ccc(CO)n1-c1ccccc1
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n/an/a 3.84E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50341204
PNG
((Z)-3-butylidenephthalide | CHEMBL1765390)
Show SMILES CCC\C=C1\OC(=O)c2ccccc12
Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
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n/an/a 4.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50550996
PNG
(CHEMBL4783560)
Show SMILES OC[C@@H]1N[C@H]([C@H](O)[C@H]1O)c1ccc(O)cc1 |r|
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n/an/a 4.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50550995
PNG
(L-RADICAMINE A)
Show SMILES COc1ccc(cc1O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
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n/an/a 4.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50551006
PNG
(CHEMBL4800248)
Show SMILES CCOC(=O)c1ccc(cc1)-n1c(CO)ccc1\C=C1/OC(=O)c2c1cc(C)[nH]c2=O
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n/an/a 4.12E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 4.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM24783
PNG
(4H-chromen-4-one | chromone, 12)
Show SMILES O=c1ccoc2ccccc12
Show InChI InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
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n/an/a 4.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM92460
PNG
(Casuarine)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O)CN12
Show InChI InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50551002
PNG
(CHEMBL4750240)
Show SMILES Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1ccc(CO)n1Cc1ccccc1
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n/an/a 5.11E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM24783
PNG
(4H-chromen-4-one | chromone, 12)
Show SMILES O=c1ccoc2ccccc12
Show InChI InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
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n/an/a 5.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 5.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50551004
PNG
(CHEMBL4758678)
Show SMILES Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1ccc(CO)n1-c1ccccc1
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n/an/a 6.14E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50550998
PNG
(CHEMBL4788384)
Show SMILES Oc1ccc(\C=C2/C(=O)Nc3cc(Cl)ccc23)cc1O
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n/an/a 6.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50551000
PNG
(CHEMBL4751456)
Show SMILES CC(C)c1ccc(\C=C2/C(=O)Nc3cc(Cl)ccc23)cc1
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n/an/a 6.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50550999
PNG
(CHEMBL4796653)
Show SMILES [O-][N+](=O)c1ccccc1\C=C1/C(=O)Nc2cc(Cl)ccc12
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n/an/a 6.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50550997
PNG
(CHEMBL4745678)
Show SMILES CC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
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n/an/a 7.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50341204
PNG
((Z)-3-butylidenephthalide | CHEMBL1765390)
Show SMILES CCC\C=C1\OC(=O)c2ccccc12
Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
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n/an/a 8.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM92460
PNG
(Casuarine)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O)CN12
Show InChI InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1
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n/an/a 8.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50486898
PNG
(Broussonol E | CHEBI:66727)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(cc(-[#8])c1-[#8])-c1oc2cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c(=O)c1-[#8]
Show InChI InChI=1S/C25H26O7/c1-12(2)5-7-14-9-15(10-18(27)21(14)28)25-24(31)23(30)20-19(32-25)11-17(26)16(22(20)29)8-6-13(3)4/h5-6,9-11,26-29,31H,7-8H2,1-4H3
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n/an/a 8.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50174837
PNG
(4'-(p-toluenesulfonamide)-3,4-dihydroxy chalcone |...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H19NO5S/c1-15-2-10-19(11-3-15)29(27,28)23-18-8-6-17(7-9-18)20(24)12-4-16-5-13-21(25)22(26)14-16/h2-14,23,25-26H,1H3/b12-4+
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n/an/a 9.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50174834
PNG
(CHEMBL382280 | N-(3-(3-(4-hydroxyphenyl)acryloyl)p...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4S/c1-16-5-12-21(13-6-16)28(26,27)23-19-4-2-3-18(15-19)22(25)14-9-17-7-10-20(24)11-8-17/h2-15,23-24H,1H3/b14-9+
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n/an/a 9.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50174833
PNG
(CHEMBL199442 | N-(3-(3-(3,4-dihydroxyphenyl)acrylo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H19NO5S/c1-15-5-9-19(10-6-15)29(27,28)23-18-4-2-3-17(14-18)20(24)11-7-16-8-12-21(25)22(26)13-16/h2-14,23,25-26H,1H3/b11-7+
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n/an/a 9.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Bos taurus)		BDBM50174835
PNG
(4'-(4-toluenesulfonamido)-4-hydroxychalcone | 4'-(...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4S/c1-16-2-13-21(14-3-16)28(26,27)23-19-9-7-18(8-10-19)22(25)15-6-17-4-11-20(24)12-5-17/h2-15,23-24H,1H3/b15-6+
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n/an/a 9.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50551002
PNG
(CHEMBL4750240)
Show SMILES Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1ccc(CO)n1Cc1ccccc1
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n/an/a 9.23E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50174834
PNG
(CHEMBL382280 | N-(3-(3-(4-hydroxyphenyl)acryloyl)p...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4S/c1-16-5-12-21(13-6-16)28(26,27)23-19-4-2-3-18(15-19)22(25)14-9-17-7-10-20(24)11-8-17/h2-15,23-24H,1H3/b14-9+
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n/an/a 1.05E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50174837
PNG
(4'-(p-toluenesulfonamide)-3,4-dihydroxy chalcone |...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H19NO5S/c1-15-2-10-19(11-3-15)29(27,28)23-18-8-6-17(7-9-18)20(24)12-4-16-5-13-21(25)22(26)14-16/h2-14,23,25-26H,1H3/b12-4+
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n/an/a 1.05E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50174835
PNG
(4'-(4-toluenesulfonamido)-4-hydroxychalcone | 4'-(...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C22H19NO4S/c1-16-2-13-21(14-3-16)28(26,27)23-19-9-7-18(8-10-19)22(25)15-6-17-4-11-20(24)12-5-17/h2-15,23-24H,1H3/b15-6+
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n/an/a 1.05E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)		BDBM50174833
PNG
(CHEMBL199442 | N-(3-(3-(3,4-dihydroxyphenyl)acrylo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H19NO5S/c1-15-5-9-19(10-6-15)29(27,28)23-18-4-2-3-17(14-18)20(24)11-7-16-8-12-21(25)22(26)13-16/h2-14,23,25-26H,1H3/b11-7+
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n/an/a 1.05E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112034
BindingDB Entry DOI: 10.7270/Q2KW5KN9
More data for this
Ligand-Target Pair
Flavin reductase (NADPH)


(Homo sapiens)		BDBM50061625
PNG
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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n/an/an/a 1.38E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01664
BindingDB Entry DOI: 10.7270/Q2RJ4PB7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Flavin reductase (NADPH)


(Homo sapiens)		BDBM50542241
PNG
(E127 | ERYTHROSINE | US20230364057, Compound 253)
Show SMILES Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C22OC(=O)c3ccccc23)c1I
Show InChI InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H
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n/an/an/a 160n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01664
BindingDB Entry DOI: 10.7270/Q2RJ4PB7
More data for this
Ligand-Target Pair
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