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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'bortot' and Initial = 'lo'   
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
Galectin-3


(Homo sapiens (Human))
BDBM50094294
PNG
(CHEMBL3590099)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H]([C@@H](C)O)C(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C14H23N3O9/c1-6(19)9(13(22)23)17-3-7(15-16-17)5-25-12-10(20)8(4-18)26-14(24-2)11(12)21/h3,6,8-12,14,18-21H,4-5H2,1-2H3,(H,22,23)/t6-,8-,9+,10+,11-,12+,14+/m1/s1
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n/an/an/a 8.82E+4n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50094296
PNG
(CHEMBL3590100)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](Cc2ccccc2)C(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C19H25N3O8/c1-28-19-16(25)17(15(24)14(9-23)30-19)29-10-12-8-22(21-20-12)13(18(26)27)7-11-5-3-2-4-6-11/h2-6,8,13-17,19,23-25H,7,9-10H2,1H3,(H,26,27)/t13-,14+,15-,16+,17-,19-/m0/s1
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n/an/an/a 7.96E+3n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50094297
PNG
(CHEMBL3590101)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](Cc2cc3ccccc3[nH]2)C(O)=O)[C@H]1O |r|
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n/an/an/a 2.81E+4n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50094300
PNG
(CHEMBL3590102)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](CCCCN)C(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C27H47N5O3/c28-13-7-16-29-14-4-5-15-30-17-8-18-31-27(35)25(20-23-11-6-12-24(33)19-23)32-26(34)21-22-9-2-1-3-10-22/h6,11-12,19,22,25,29-30,33H,1-5,7-10,13-18,20-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/an/a 4.56E+3n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50370453
PNG
(LACTOSE | Lactose, anhydrous)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/an/a 9.26E+4n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50094302
PNG
(CHEMBL3590104)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](Cc2ccc(O)cc2)C(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C27H39N3O5/c28-13-7-17-34-15-4-5-16-35-18-8-14-29-27(33)25(20-23-11-6-12-24(31)19-23)30-26(32)21-22-9-2-1-3-10-22/h1-3,6,9-12,19,25,31H,4-5,7-8,13-18,20-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/an/a 1.99E+4n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50094303
PNG
(CHEMBL3590105)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCOCCOCCn3cc(CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H45N3O5/c28-13-7-17-34-15-4-5-16-35-18-8-14-29-27(33)25(20-23-11-6-12-24(31)19-23)30-26(32)21-22-9-2-1-3-10-22/h6,11-12,19,22,25,31H,1-5,7-10,13-18,20-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/an/a 500n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 first carbohydrate recognition domain after 60 mins by surface plasmon resonance immunosensor as...


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50094303
PNG
(CHEMBL3590105)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCOCCOCCn3cc(CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H45N3O5/c28-13-7-17-34-15-4-5-16-35-18-8-14-29-27(33)25(20-23-11-6-12-24(31)19-23)30-26(32)21-22-9-2-1-3-10-22/h6,11-12,19,22,25,31H,1-5,7-10,13-18,20-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/an/a 1.90E+4n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 second carbohydrate recognition domain after 60 mins by surface plasmon resonance immunosensor a...


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50094301
PNG
(CHEMBL3590103)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](CC(O)=O)C(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C27H47N5O3/c28-14-6-17-29-15-4-5-16-30-18-7-19-31-27(35)25(20-23-10-12-24(33)13-11-23)32-26(34)21-22-8-2-1-3-9-22/h10-13,22,25,29-30,33H,1-9,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/an/a 1.11E+4n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair