Found 13 hits Enz. Inhib. hit(s) with Target = 'Beta-galactoside-binding lectin' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Beta-galactoside-binding lectin
(Gallus gallus) | BDBM50401022
(CHEMBL2203662)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H](CC=C)O[C@@H]3C(=O)NCc3ccc(CNC(=O)[C@@H]4O[C@@H](CC=C)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4cn(nn4)[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)cc3)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C84H106N8O30/c1-3-17-53-71(109-39-47-19-9-5-10-20-47)73(111-41-49-23-13-7-14-24-49)75(113-43-51-33-91(89-87-51)81-65(103)63(101)69(57(37-95)117-81)121-83-67(105)61(99)59(97)55(35-93)119-83)77(115-53)79(107)85-31-45-27-29-46(30-28-45)32-86-80(108)78-76(74(112-42-50-25-15-8-16-26-50)72(54(116-78)18-4-2)110-40-48-21-11-6-12-22-48)114-44-52-34-92(90-88-52)82-66(104)64(102)70(58(38-96)118-82)122-84-68(106)62(100)60(98)56(36-94)120-84/h3-16,19-30,33-34,53-78,81-84,93-106H,1-2,17-18,31-32,35-44H2,(H,85,107)(H,86,108)/t53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74+,75+,76-,77+,78-,81-,82-,83+,84+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich
Curated by ChEMBL
| Assay Description
Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay |
Bioorg Med Chem Lett 22: 313-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.010
BindingDB Entry DOI: 10.7270/Q2KP83BJ |
More data for this
Ligand-Target Pair | |
Beta-galactoside-binding lectin
(Gallus gallus) | BDBM50401023
(CHEMBL2203663)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]4C\C=C\C[C@@H]5O[C@H]([C@H](OCc6cn(nn6)[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@H](OCc6ccccc6)[C@@H]5OCc5ccccc5)C(=O)NCc5ccc(CNC(=O)[C@H]3O4)cc5)nn2)[C@H](O)[C@@H](O)[C@H]1O |r,t:45| Show InChI InChI=1S/C82H102N8O30/c91-33-53-57(95)59(97)65(103)81(117-53)119-67-55(35-93)115-79(63(101)61(67)99)89-31-49(85-87-89)41-111-73-71(109-39-47-19-9-3-10-20-47)69(107-37-45-15-5-1-6-16-45)51-23-13-14-24-52-70(108-38-46-17-7-2-8-18-46)72(110-40-48-21-11-4-12-22-48)74(76(114-52)78(106)84-30-44-27-25-43(26-28-44)29-83-77(105)75(73)113-51)112-42-50-32-90(88-86-50)80-64(102)62(100)68(56(36-94)116-80)120-82-66(104)60(98)58(96)54(34-92)118-82/h1-22,25-28,31-32,51-76,79-82,91-104H,23-24,29-30,33-42H2,(H,83,105)(H,84,106)/b14-13+/t51-,52+,53-,54-,55-,56-,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,72+,73+,74-,75+,76-,79-,80-,81+,82+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich
Curated by ChEMBL
| Assay Description
Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay |
Bioorg Med Chem Lett 22: 313-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.010
BindingDB Entry DOI: 10.7270/Q2KP83BJ |
More data for this
Ligand-Target Pair | |
Beta-galactoside-binding lectin
(Gallus gallus) | BDBM50401020
(CHEMBL2203664)Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=O)\C=C\C(=O)N[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46N2O22/c31-3-7-13(37)15(39)21(45)27(49-7)51-23-9(5-33)47-25(19(43)17(23)41)29-11(35)1-2-12(36)30-26-20(44)18(42)24(10(6-34)48-26)52-28-22(46)16(40)14(38)8(4-32)50-28/h1-2,7-10,13-28,31-34,37-46H,3-6H2,(H,29,35)(H,30,36)/b2-1+/t7-,8-,9-,10-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich
Curated by ChEMBL
| Assay Description
Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay |
Bioorg Med Chem Lett 22: 313-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.010
BindingDB Entry DOI: 10.7270/Q2KP83BJ |
More data for this
Ligand-Target Pair | |
Beta-galactoside-binding lectin
(Gallus gallus) | BDBM50401021
(CHEMBL2203665)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(nn2)-c2ccc(cc2)-c2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C34H48N6O20/c41-7-15-19(45)21(47)27(53)33(57-15)59-29-17(9-43)55-31(25(51)23(29)49)39-5-13(35-37-39)11-1-2-12(4-3-11)14-6-40(38-36-14)32-26(52)24(50)30(18(10-44)56-32)60-34-28(54)22(48)20(46)16(8-42)58-34/h1-6,15-34,41-54H,7-10H2/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich
Curated by ChEMBL
| Assay Description
Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay |
Bioorg Med Chem Lett 22: 313-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.010
BindingDB Entry DOI: 10.7270/Q2KP83BJ |
More data for this
Ligand-Target Pair | |
Beta-galactoside-binding lectin
(Gallus gallus) | BDBM50401021
(CHEMBL2203665)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(nn2)-c2ccc(cc2)-c2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C34H48N6O20/c41-7-15-19(45)21(47)27(53)33(57-15)59-29-17(9-43)55-31(25(51)23(29)49)39-5-13(35-37-39)11-1-2-12(4-3-11)14-6-40(38-36-14)32-26(52)24(50)30(18(10-44)56-32)60-34-28(54)22(48)20(46)16(8-42)58-34/h1-6,15-34,41-54H,7-10H2/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich
Curated by ChEMBL
| Assay Description
Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay relative to free lactose |
Bioorg Med Chem Lett 22: 313-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.010
BindingDB Entry DOI: 10.7270/Q2KP83BJ |
More data for this
Ligand-Target Pair | |
Beta-galactoside-binding lectin
(Gallus gallus) | BDBM50401020
(CHEMBL2203664)Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=O)\C=C\C(=O)N[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46N2O22/c31-3-7-13(37)15(39)21(45)27(49-7)51-23-9(5-33)47-25(19(43)17(23)41)29-11(35)1-2-12(36)30-26-20(44)18(42)24(10(6-34)48-26)52-28-22(46)16(40)14(38)8(4-32)50-28/h1-2,7-10,13-28,31-34,37-46H,3-6H2,(H,29,35)(H,30,36)/b2-1+/t7-,8-,9-,10-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich
Curated by ChEMBL
| Assay Description
Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay relative to free lactose |
Bioorg Med Chem Lett 22: 313-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.010
BindingDB Entry DOI: 10.7270/Q2KP83BJ |
More data for this
Ligand-Target Pair | |
Beta-galactoside-binding lectin
(Gallus gallus) | BDBM50370453
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich
Curated by ChEMBL
| Assay Description
Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay |
Bioorg Med Chem Lett 22: 313-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.010
BindingDB Entry DOI: 10.7270/Q2KP83BJ |
More data for this
Ligand-Target Pair | |
Beta-galactoside-binding lectin
(Gallus gallus) | BDBM50401023
(CHEMBL2203663)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]4C\C=C\C[C@@H]5O[C@H]([C@H](OCc6cn(nn6)[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@H](OCc6ccccc6)[C@@H]5OCc5ccccc5)C(=O)NCc5ccc(CNC(=O)[C@H]3O4)cc5)nn2)[C@H](O)[C@@H](O)[C@H]1O |r,t:45| Show InChI InChI=1S/C82H102N8O30/c91-33-53-57(95)59(97)65(103)81(117-53)119-67-55(35-93)115-79(63(101)61(67)99)89-31-49(85-87-89)41-111-73-71(109-39-47-19-9-3-10-20-47)69(107-37-45-15-5-1-6-16-45)51-23-13-14-24-52-70(108-38-46-17-7-2-8-18-46)72(110-40-48-21-11-4-12-22-48)74(76(114-52)78(106)84-30-44-27-25-43(26-28-44)29-83-77(105)75(73)113-51)112-42-50-32-90(88-86-50)80-64(102)62(100)68(56(36-94)116-80)120-82-66(104)60(98)58(96)54(34-92)118-82/h1-22,25-28,31-32,51-76,79-82,91-104H,23-24,29-30,33-42H2,(H,83,105)(H,84,106)/b14-13+/t51-,52+,53-,54-,55-,56-,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,72+,73+,74-,75+,76-,79-,80-,81+,82+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich
Curated by ChEMBL
| Assay Description
Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay relative to free lactose |
Bioorg Med Chem Lett 22: 313-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.010
BindingDB Entry DOI: 10.7270/Q2KP83BJ |
More data for this
Ligand-Target Pair | |
Beta-galactoside-binding lectin
(Gallus gallus) | BDBM50401022
(CHEMBL2203662)Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H](CC=C)O[C@@H]3C(=O)NCc3ccc(CNC(=O)[C@@H]4O[C@@H](CC=C)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4cn(nn4)[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)cc3)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C84H106N8O30/c1-3-17-53-71(109-39-47-19-9-5-10-20-47)73(111-41-49-23-13-7-14-24-49)75(113-43-51-33-91(89-87-51)81-65(103)63(101)69(57(37-95)117-81)121-83-67(105)61(99)59(97)55(35-93)119-83)77(115-53)79(107)85-31-45-27-29-46(30-28-45)32-86-80(108)78-76(74(112-42-50-25-15-8-16-26-50)72(54(116-78)18-4-2)110-40-48-21-11-6-12-22-48)114-44-52-34-92(90-88-52)82-66(104)64(102)70(58(38-96)118-82)122-84-68(106)62(100)60(98)56(36-94)120-84/h3-16,19-30,33-34,53-78,81-84,93-106H,1-2,17-18,31-32,35-44H2,(H,85,107)(H,86,108)/t53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74+,75+,76-,77+,78-,81-,82-,83+,84+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich
Curated by ChEMBL
| Assay Description
Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay relative to free lactose |
Bioorg Med Chem Lett 22: 313-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.010
BindingDB Entry DOI: 10.7270/Q2KP83BJ |
More data for this
Ligand-Target Pair | |
Galectin-1
(Rattus norvegicus) | BDBM50591131
(CHEMBL5193805)Show SMILES OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5.18E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9 |
More data for this
Ligand-Target Pair | |
Galectin-1
(Rattus norvegicus) | BDBM50591130
(CHEMBL5181579)Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9 |
More data for this
Ligand-Target Pair | |
Galectin-1
(Rattus norvegicus) | BDBM50077225
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a |
Institute of Science Education and Research-Kolkata (IISER) Kolkata
Curated by ChEMBL
| Assay Description
Competitive binding affinity to rat galectin-1 after 5 mins in presence of fluorescent probe by fluorescence polarization assay |
J Med Chem 59: 8141-7 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00957
BindingDB Entry DOI: 10.7270/Q2X63RF4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Galectin-1
(Rattus norvegicus) | BDBM50591132
(CHEMBL5182222)Show SMILES OC[C@H]1O[C@H](Sc2cncc(Br)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.17E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00660
BindingDB Entry DOI: 10.7270/Q2V69PJ9 |
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