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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-galactoside-binding lectin' and Ligand = 'BDBM50401023'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-galactoside-binding lectin


(Gallus gallus)
BDBM50401023
PNG
(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
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
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+5n/an/an/an/an/an/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
PNG
(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
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
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.70E+6n/an/an/an/an/an/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