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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 = 'BDBM50401021'   
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)
BDBM50401021
PNG
(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
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
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+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


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
PNG
(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
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
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+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