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5 similar compounds to monomer 50272300

Compile data set for download or QSAR
Wt: 444.5
BDBM50272259
Wt: 509.3
BDBM50272260
Wt: 480.5
BDBM50272261
Wt: 464.9
BDBM50272262
Wt: 588.2
BDBM50272301

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50272259,50272260,50272261,50272262,50272301   
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))
BDBM50272301
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(2,5-dibrom...)
Show SMILES Cc1nc(NS(=O)(=O)c2cc(Br)ccc2Br)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H20Br2N2O7S2/c1-7-12(5-10-14(23)16(25)15(24)11(6-22)28-10)29-17(20-7)21-30(26,27)13-4-8(18)2-3-9(13)19/h2-4,10-11,14-16,22-25H,5-6H2,1H3,(H,20,21)/t10-,11+,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))
BDBM50272262
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(2-chloro-p...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccccc2Cl)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H21ClN2O7S2/c1-8-12(6-10-14(22)16(24)15(23)11(7-21)27-10)28-17(19-8)20-29(25,26)13-5-3-2-4-9(13)18/h2-5,10-11,14-16,21-24H,6-7H2,1H3,(H,19,20)/t10-,11+,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))
BDBM50272261
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(b-naphthyl...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H24N2O7S2/c1-11-17(9-15-18(25)20(27)19(26)16(10-24)30-15)31-21(22-11)23-32(28,29)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,18-20,24-27H,9-10H2,1H3,(H,22,23)/t15-,16+,18-,19-,20+/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))
BDBM50272260
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-bromophe...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H21BrN2O7S2/c1-8-13(6-11-14(22)16(24)15(23)12(7-21)27-11)28-17(19-8)20-29(25,26)10-4-2-9(18)3-5-10/h2-5,11-12,14-16,21-24H,6-7H2,1H3,(H,19,20)/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-3


(Homo sapiens (Human))
BDBM50272259
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-methyl-p...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(C)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H24N2O7S2/c1-9-3-5-11(6-4-9)29(25,26)20-18-19-10(2)14(28-18)7-12-15(22)17(24)16(23)13(8-21)27-12/h3-6,12-13,15-17,21-24H,7-8H2,1-2H3,(H,19,20)/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 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))
BDBM50272301
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(2,5-dibrom...)
Show SMILES Cc1nc(NS(=O)(=O)c2cc(Br)ccc2Br)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H20Br2N2O7S2/c1-7-12(5-10-14(23)16(25)15(24)11(6-22)28-10)29-17(20-7)21-30(26,27)13-4-8(18)2-3-9(13)19/h2-4,10-11,14-16,22-25H,5-6H2,1H3,(H,20,21)/t10-,11+,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))
BDBM50272262
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(2-chloro-p...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccccc2Cl)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H21ClN2O7S2/c1-8-12(6-10-14(22)16(24)15(23)11(7-21)27-10)28-17(19-8)20-29(25,26)13-5-3-2-4-9(13)18/h2-5,10-11,14-16,21-24H,6-7H2,1H3,(H,19,20)/t10-,11+,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 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))
BDBM50272261
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(b-naphthyl...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H24N2O7S2/c1-11-17(9-15-18(25)20(27)19(26)16(10-24)30-15)31-21(22-11)23-32(28,29)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,18-20,24-27H,9-10H2,1H3,(H,22,23)/t15-,16+,18-,19-,20+/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))
BDBM50272260
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-bromophe...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H21BrN2O7S2/c1-8-13(6-11-14(22)16(24)15(23)12(7-21)27-11)28-17(19-8)20-29(25,26)10-4-2-9(18)3-5-10/h2-5,11-12,14-16,21-24H,6-7H2,1H3,(H,19,20)/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 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))
BDBM50272259
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-methyl-p...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(C)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H24N2O7S2/c1-9-3-5-11(6-4-9)29(25,26)20-18-19-10(2)14(28-18)7-12-15(22)17(24)16(23)13(8-21)27-12/h3-6,12-13,15-17,21-24H,7-8H2,1-2H3,(H,19,20)/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