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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 = 'BDBM50401022'   
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)
BDBM50401022
PNG
(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
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
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+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)
BDBM50401022
PNG
(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
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
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.70E+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