Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-galactoside-binding lectin' and Ligand = 'BDBM50401022' 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) | 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 | |
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