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BDBM50272332 5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-benzamidothiazole::CHEMBL500124

SMILES: Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=LOQGFKUJMBBAGB-PTNZTPPNSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50272332   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Galectin-3


(Homo sapiens (Human))
BDBM50272332
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-ben...)
Show SMILES Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N3O8S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)29-11)30-18(19-8)20-17(26)9-2-4-10(5-3-9)21(27)28/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,19,20,26)/t11-,12+,14-,15-,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 3 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50272332
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-ben...)
Show SMILES Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N3O8S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)29-11)30-18(19-8)20-17(26)9-2-4-10(5-3-9)21(27)28/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,19,20,26)/t11-,12+,14-,15-,16+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair