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11 similar compounds to monomer 50357412

Compile data set for download or QSAR
Wt: 663.7
BDBM124223
Wt: 739.8
BDBM124224
Wt: 679.7
BDBM124225
Wt: 665.7
BDBM124227
Wt: 693.7
BDBM124228
Wt: 755.8
BDBM124229
Wt: 783.8
BDBM124230
Wt: 741.8
BDBM124231
Wt: 769.8
BDBM124232
Wt: 352.3
BDBM50357408
Wt: 380.3
BDBM50357411

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 124223,124224,124225,124227,124228,124229,124230,124231,124232,50357408,50357411   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124223
PNG
(Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4-acetylphenyl)-...)
Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(C)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H41N3O7/c1-28(43)32-18-20-34(21-19-32)42-22-33(40-41-42)26-45-27-35-36(46-23-29-12-6-3-7-13-29)37(47-24-30-14-8-4-9-15-30)38(39(44-2)49-35)48-25-31-16-10-5-11-17-31/h3-22,35-39H,23-27H2,1-2H3/t35-,36-,37+,38-,39+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50357411
PNG
(CHEMBL1917304)
Show SMILES OC[C@H]1O[C@H](OCc2cn(nn2)-c2cccc(c2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C16H19N3O8/c20-6-11-12(21)13(22)14(23)16(27-11)26-7-9-5-19(18-17-9)10-3-1-2-8(4-10)15(24)25/h1-5,11-14,16,20-23H,6-7H2,(H,24,25)/p-1/t11-,12-,13+,14+,16+/m1/s1
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n/an/a 296n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia...


Bioorg Med Chem 19: 6454-73 (2011)


Article DOI: 10.1016/j.bmc.2011.08.057
BindingDB Entry DOI: 10.7270/Q2416XGX
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124225
PNG
(Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4-(methoxycarbon...)
Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)OC)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H41N3O8/c1-44-38(43)31-18-20-33(21-19-31)42-22-32(40-41-42)26-46-27-34-35(47-23-28-12-6-3-7-13-28)36(48-24-29-14-8-4-9-15-29)37(39(45-2)50-34)49-25-30-16-10-5-11-17-30/h3-22,34-37,39H,23-27H2,1-2H3/t34-,35-,36+,37-,39+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124227
PNG
(Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4-carboxyphenyl)...)
Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(O)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C38H39N3O8/c1-44-38-36(48-24-29-15-9-4-10-16-29)35(47-23-28-13-7-3-8-14-28)34(46-22-27-11-5-2-6-12-27)33(49-38)26-45-25-31-21-41(40-39-31)32-19-17-30(18-20-32)37(42)43/h2-21,33-36,38H,22-26H2,1H3,(H,42,43)/t33-,34-,35+,36-,38+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124228
PNG
(Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4- (carboxycarbo...)
Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)C(O)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H39N3O9/c1-46-39-37(50-24-29-15-9-4-10-16-29)36(49-23-28-13-7-3-8-14-28)35(48-22-27-11-5-2-6-12-27)33(51-39)26-47-25-31-21-42(41-40-31)32-19-17-30(18-20-32)34(43)38(44)45/h2-21,33,35-37,39H,22-26H2,1H3,(H,44,45)/t33-,35-,36+,37-,39+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124229
PNG
(1-(4-(Methoxycarbonyl)phenyl)-1H-1,2,3-triazol-4- ...)
Show SMILES COC(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C45H45N3O8/c1-50-44(49)37-22-24-39(25-23-37)48-26-38(46-47-48)31-55-45-43(54-30-36-20-12-5-13-21-36)42(53-29-35-18-10-4-11-19-35)41(52-28-34-16-8-3-9-17-34)40(56-45)32-51-27-33-14-6-2-7-15-33/h2-26,40-43,45H,27-32H2,1H3/t40-,41-,42+,43-,45+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124230
PNG
(1-(4-(2-Methoxy-2-oxoacetyl)phenyl)-1H-1,2,3-triaz...)
Show SMILES COC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C46H45N3O9/c1-52-45(51)41(50)37-22-24-39(25-23-37)49-26-38(47-48-49)31-57-46-44(56-30-36-20-12-5-13-21-36)43(55-29-35-18-10-4-11-19-35)42(54-28-34-16-8-3-9-17-34)40(58-46)32-53-27-33-14-6-2-7-15-33/h2-26,40,42-44,46H,27-32H2,1H3/t40-,42-,43+,44-,46+/m1/s1
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n/an/a 1.23E+4n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124231
PNG
(1-(4-Carboxyphenyl)-1H-1,2,3-triazol-4-ylmethyl 2,...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C44H43N3O8/c48-43(49)36-21-23-38(24-22-36)47-25-37(45-46-47)30-54-44-42(53-29-35-19-11-4-12-20-35)41(52-28-34-17-9-3-10-18-34)40(51-27-33-15-7-2-8-16-33)39(55-44)31-50-26-32-13-5-1-6-14-32/h1-25,39-42,44H,26-31H2,(H,48,49)/t39-,40-,41+,42-,44+/m1/s1
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n/an/a 1.11E+4n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124232
PNG
(1-(4-(Carboxycarbonyl)phenyl)-1H-1,2,3-triazol-4- ...)
Show SMILES OC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C45H43N3O9/c49-40(44(50)51)36-21-23-38(24-22-36)48-25-37(46-47-48)30-56-45-43(55-29-35-19-11-4-12-20-35)42(54-28-34-17-9-3-10-18-34)41(53-27-33-15-7-2-8-16-33)39(57-45)31-52-26-32-13-5-1-6-14-32/h1-25,39,41-43,45H,26-31H2,(H,50,51)/t39-,41-,42+,43-,45+/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM124228
PNG
(Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4- (carboxycarbo...)
Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)C(O)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H39N3O9/c1-46-39-37(50-24-29-15-9-4-10-16-29)36(49-23-28-13-7-3-8-14-28)35(48-22-27-11-5-2-6-12-27)33(51-39)26-47-25-31-21-42(41-40-31)32-19-17-30(18-20-32)34(43)38(44)45/h2-21,33,35-37,39H,22-26H2,1H3,(H,44,45)/t33-,35-,36+,37-,39+/m1/s1
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n/an/a 1.45E+4n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM124232
PNG
(1-(4-(Carboxycarbonyl)phenyl)-1H-1,2,3-triazol-4- ...)
Show SMILES OC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C45H43N3O9/c49-40(44(50)51)36-21-23-38(24-22-36)48-25-37(46-47-48)30-56-45-43(55-29-35-19-11-4-12-20-35)42(54-28-34-17-9-3-10-18-34)41(53-27-33-15-7-2-8-16-33)39(57-45)31-52-26-32-13-5-1-6-14-32/h1-25,39,41-43,45H,26-31H2,(H,50,51)/t39-,41-,42+,43-,45+/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM124228
PNG
(Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4- (carboxycarbo...)
Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)C(O)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H39N3O9/c1-46-39-37(50-24-29-15-9-4-10-16-29)36(49-23-28-13-7-3-8-14-28)35(48-22-27-11-5-2-6-12-27)33(51-39)26-47-25-31-21-42(41-40-31)32-19-17-30(18-20-32)34(43)38(44)45/h2-21,33,35-37,39H,22-26H2,1H3,(H,44,45)/t33-,35-,36+,37-,39+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM124232
PNG
(1-(4-(Carboxycarbonyl)phenyl)-1H-1,2,3-triazol-4- ...)
Show SMILES OC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C45H43N3O9/c49-40(44(50)51)36-21-23-38(24-22-36)48-25-37(46-47-48)30-56-45-43(55-29-35-19-11-4-12-20-35)42(54-28-34-17-9-3-10-18-34)41(53-27-33-15-7-2-8-16-33)39(57-45)31-52-26-32-13-5-1-6-14-32/h1-25,39,41-43,45H,26-31H2,(H,50,51)/t39-,41-,42+,43-,45+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124228
PNG
(Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4- (carboxycarbo...)
Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)C(O)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H39N3O9/c1-46-39-37(50-24-29-15-9-4-10-16-29)36(49-23-28-13-7-3-8-14-28)35(48-22-27-11-5-2-6-12-27)33(51-39)26-47-25-31-21-42(41-40-31)32-19-17-30(18-20-32)34(43)38(44)45/h2-21,33,35-37,39H,22-26H2,1H3,(H,44,45)/t33-,35-,36+,37-,39+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124232
PNG
(1-(4-(Carboxycarbonyl)phenyl)-1H-1,2,3-triazol-4- ...)
Show SMILES OC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C45H43N3O9/c49-40(44(50)51)36-21-23-38(24-22-36)48-25-37(46-47-48)30-56-45-43(55-29-35-19-11-4-12-20-35)42(54-28-34-17-9-3-10-18-34)41(53-27-33-15-7-2-8-16-33)39(57-45)31-52-26-32-13-5-1-6-14-32/h1-25,39,41-43,45H,26-31H2,(H,50,51)/t39-,41-,42+,43-,45+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM124228
PNG
(Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4- (carboxycarbo...)
Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)C(O)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H39N3O9/c1-46-39-37(50-24-29-15-9-4-10-16-29)36(49-23-28-13-7-3-8-14-28)35(48-22-27-11-5-2-6-12-27)33(51-39)26-47-25-31-21-42(41-40-31)32-19-17-30(18-20-32)34(43)38(44)45/h2-21,33,35-37,39H,22-26H2,1H3,(H,44,45)/t33-,35-,36+,37-,39+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM124232
PNG
(1-(4-(Carboxycarbonyl)phenyl)-1H-1,2,3-triazol-4- ...)
Show SMILES OC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C45H43N3O9/c49-40(44(50)51)36-21-23-38(24-22-36)48-25-37(46-47-48)30-56-45-43(55-29-35-19-11-4-12-20-35)42(54-28-34-17-9-3-10-18-34)41(53-27-33-15-7-2-8-16-33)39(57-45)31-52-26-32-13-5-1-6-14-32/h1-25,39,41-43,45H,26-31H2,(H,50,51)/t39-,41-,42+,43-,45+/m1/s1
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n/an/a 5.54E+4n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50357408
PNG
(CHEMBL1917307)
Show SMILES Nc1ccc(cc1)-n1cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1
Show InChI InChI=1S/C15H20N4O6/c16-8-1-3-10(4-2-8)19-5-9(17-18-19)7-24-15-14(23)13(22)12(21)11(6-20)25-15/h1-5,11-15,20-23H,6-7,16H2/t11-,12-,13+,14+,15+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia...


Bioorg Med Chem 19: 6454-73 (2011)


Article DOI: 10.1016/j.bmc.2011.08.057
BindingDB Entry DOI: 10.7270/Q2416XGX
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM124224
PNG
(1-(4-Acetylphenyl)-1H-1,2,3-triazol-4-ylmethyl 2,3...)
Show SMILES CC(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C45H45N3O7/c1-33(49)38-22-24-40(25-23-38)48-26-39(46-47-48)31-54-45-44(53-30-37-20-12-5-13-21-37)43(52-29-36-18-10-4-11-19-36)42(51-28-35-16-8-3-9-17-35)41(55-45)32-50-27-34-14-6-2-7-15-34/h2-26,41-45H,27-32H2,1H3/t41-,42-,43+,44-,45+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair