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BDBM50272302 5-(beta-D-Galactopyranosyl)-4-methyl-2-benzylaminothiazole::CHEMBL525202

SMILES: Cc1nc(NCc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=SRDLJRCAYKDAMY-QMPXSYISSA-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 = 50272302   
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))
BDBM50272302
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-benzylamino...)
Show SMILES Cc1nc(NCc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H24N2O5S/c1-10-14(7-12-15(22)17(24)16(23)13(9-21)25-12)26-18(20-10)19-8-11-5-3-2-4-6-11/h2-6,12-13,15-17,21-24H,7-9H2,1H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+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))
BDBM50272302
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-benzylamino...)
Show SMILES Cc1nc(NCc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H24N2O5S/c1-10-14(7-12-15(22)17(24)16(23)13(9-21)25-12)26-18(20-10)19-8-11-5-3-2-4-6-11/h2-6,12-13,15-17,21-24H,7-9H2,1H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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