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4 similar compounds to monomer 50272332

Compile data set for download or QSAR
Wt: 424.4
BDBM50272333
Wt: 473.3
BDBM50272334
Wt: 425.4
BDBM50272303
Wt: 394.4
BDBM50272304

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50272333,50272334,50272303,50272304   
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
Galectin-1


(Homo sapiens (Human))
BDBM50272333
PNG
(2-p-Anisamido-5-(beta-D-galactopyranosyl)-4-methyl...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1
Show InChI InChI=1S/C19H24N2O7S/c1-9-14(7-12-15(23)17(25)16(24)13(8-22)28-12)29-19(20-9)21-18(26)10-3-5-11(27-2)6-4-10/h3-6,12-13,15-17,22-25H,7-8H2,1-2H3,(H,20,21,26)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50272304
PNG
(2-Benzamido-5-(beta-D-galactopyranosyl)-4-methylth...)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N2O6S/c1-9-13(7-11-14(22)16(24)15(23)12(8-21)26-11)27-18(19-9)20-17(25)10-5-3-2-4-6-10/h2-6,11-12,14-16,21-24H,7-8H2,1H3,(H,19,20,25)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50272303
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-4-nitrobenz...)
Show SMILES Cc1nc(NCc2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H23N3O7S/c1-9-14(6-12-15(23)17(25)16(24)13(8-22)28-12)29-18(20-9)19-7-10-2-4-11(5-3-10)21(26)27/h2-5,12-13,15-17,22-25H,6-8H2,1H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50272334
PNG
(2-p-Bromobenzamido-5-(beta-D-galactopyranosyl)-4-m...)
Show SMILES Cc1nc(NC(=O)c2ccc(Br)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H21BrN2O6S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)27-11)28-18(20-8)21-17(26)9-2-4-10(19)5-3-9/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,20,21,26)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50272333
PNG
(2-p-Anisamido-5-(beta-D-galactopyranosyl)-4-methyl...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1
Show InChI InChI=1S/C19H24N2O7S/c1-9-14(7-12-15(23)17(25)16(24)13(8-22)28-12)29-19(20-9)21-18(26)10-3-5-11(27-2)6-4-10/h3-6,12-13,15-17,22-25H,7-8H2,1-2H3,(H,20,21,26)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 3 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50272304
PNG
(2-Benzamido-5-(beta-D-galactopyranosyl)-4-methylth...)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N2O6S/c1-9-13(7-11-14(22)16(24)15(23)12(8-21)26-11)27-18(19-9)20-17(25)10-5-3-2-4-6-10/h2-6,11-12,14-16,21-24H,7-8H2,1H3,(H,19,20,25)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 3 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50272303
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-4-nitrobenz...)
Show SMILES Cc1nc(NCc2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H23N3O7S/c1-9-14(6-12-15(23)17(25)16(24)13(8-22)28-12)29-18(20-9)19-7-10-2-4-11(5-3-10)21(26)27/h2-5,12-13,15-17,22-25H,6-8H2,1H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 3 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50272334
PNG
(2-p-Bromobenzamido-5-(beta-D-galactopyranosyl)-4-m...)
Show SMILES Cc1nc(NC(=O)c2ccc(Br)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H21BrN2O6S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)27-11)28-18(20-8)21-17(26)9-2-4-10(19)5-3-9/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,20,21,26)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 3 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair