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BDBM50272300 5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-tert-Butylphenyl)sulfonylaminothiazole::CHEMBL500420

SMILES: Cc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=RAYBSVGKYHJFDG-HAYURNKSSA-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 = 50272300   
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))
BDBM50272300
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-tert-But...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H30N2O7S2/c1-11-16(9-14-17(25)19(27)18(26)15(10-24)30-14)31-20(22-11)23-32(28,29)13-7-5-12(6-8-13)21(2,3)4/h5-8,14-15,17-19,24-27H,9-10H2,1-4H3,(H,22,23)/t14-,15+,17-,18-,19+/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))
BDBM50272300
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-tert-But...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H30N2O7S2/c1-11-16(9-14-17(25)19(27)18(26)15(10-24)30-14)31-20(22-11)23-32(28,29)13-7-5-12(6-8-13)21(2,3)4/h5-8,14-15,17-19,24-27H,9-10H2,1-4H3,(H,22,23)/t14-,15+,17-,18-,19+/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