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6 similar compounds to monomer 50272333

Compile data set for download or QSAR
Wt: 439.4
BDBM50272332
Wt: 473.3
BDBM50272334
Wt: 408.4
BDBM50272335
Wt: 332.3
BDBM50272336
Wt: 380.4
BDBM50272302
Wt: 394.4
BDBM50272304

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50272332,50272334,50272335,50272336,50272302,50272304   
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))
BDBM50272332
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-ben...)
Show SMILES Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N3O8S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)29-11)30-18(19-8)20-17(26)9-2-4-10(5-3-9)21(27)28/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,19,20,26)/t11-,12+,14-,15-,16+/m0/s1
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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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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))
BDBM50272302
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-benzylamino...)
Show SMILES Cc1nc(NCc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H24N2O5S/c1-10-14(7-12-15(22)17(24)16(23)13(9-21)25-12)26-18(20-10)19-8-11-5-3-2-4-6-11/h2-6,12-13,15-17,21-24H,7-9H2,1H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
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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))
BDBM50272336
PNG
(2-Acetamido-5-(beta-D-galactopyranosyl)-4-methylth...)
Show SMILES CC(=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/C13H20N2O6S/c1-5-9(22-13(14-5)15-6(2)17)3-7-10(18)12(20)11(19)8(4-16)21-7/h7-8,10-12,16,18-20H,3-4H2,1-2H3,(H,14,15,17)/t7-,8+,10-,11-,12+/m0/s1
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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))
BDBM50272335
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-phenylaceta...)
Show SMILES Cc1nc(NC(=O)Cc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H24N2O6S/c1-10-14(8-12-16(24)18(26)17(25)13(9-22)27-12)28-19(20-10)21-15(23)7-11-5-3-2-4-6-11/h2-6,12-13,16-18,22,24-26H,7-9H2,1H3,(H,20,21,23)/t12-,13+,16-,17-,18+/m0/s1
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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-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))
BDBM50272332
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-ben...)
Show SMILES Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N3O8S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)29-11)30-18(19-8)20-17(26)9-2-4-10(5-3-9)21(27)28/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,19,20,26)/t11-,12+,14-,15-,16+/m0/s1
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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))
BDBM50272302
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-benzylamino...)
Show SMILES Cc1nc(NCc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H24N2O5S/c1-10-14(7-12-15(22)17(24)16(23)13(9-21)25-12)26-18(20-10)19-8-11-5-3-2-4-6-11/h2-6,12-13,15-17,21-24H,7-9H2,1H3,(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-1


(Homo sapiens (Human))
BDBM50272336
PNG
(2-Acetamido-5-(beta-D-galactopyranosyl)-4-methylth...)
Show SMILES CC(=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/C13H20N2O6S/c1-5-9(22-13(14-5)15-6(2)17)3-7-10(18)12(20)11(19)8(4-16)21-7/h7-8,10-12,16,18-20H,3-4H2,1-2H3,(H,14,15,17)/t7-,8+,10-,11-,12+/m0/s1
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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))
BDBM50272335
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-phenylaceta...)
Show SMILES Cc1nc(NC(=O)Cc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H24N2O6S/c1-10-14(8-12-16(24)18(26)17(25)13(9-22)27-12)28-19(20-10)21-15(23)7-11-5-3-2-4-6-11/h2-6,12-13,16-18,22,24-26H,7-9H2,1H3,(H,20,21,23)/t12-,13+,16-,17-,18+/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-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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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