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SMILES: COc1ccc(cc1)-c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O

InChI Key: InChIKey=NUVARWXRYAVHHV-CWVYHPPDSA-N

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 3 hits for monomerid = 50326604   
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-7


(Homo sapiens (Human))
BDBM50326604
PNG
(CHEMBL1254601 | Methyl-3-deoxy-3-(4-(4-methoxyophe...)
Show SMILES COc1ccc(cc1)-c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O |r|
Show InChI InChI=1S/C16H21N3O5S/c1-23-10-5-3-9(4-6-10)11-7-19(18-17-11)13-14(21)12(8-20)24-16(25-2)15(13)22/h3-7,12-16,20-22H,8H2,1-2H3/t12-,13+,14+,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.00E+6n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 7 at 4 degC by competitive fluorescence polarization assay


Bioorg Med Chem 18: 5367-78 (2010)


Article DOI: 10.1016/j.bmc.2010.05.040
BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50326604
PNG
(CHEMBL1254601 | Methyl-3-deoxy-3-(4-(4-methoxyophe...)
Show SMILES COc1ccc(cc1)-c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O |r|
Show InChI InChI=1S/C16H21N3O5S/c1-23-10-5-3-9(4-6-10)11-7-19(18-17-11)13-14(21)12(8-20)24-16(25-2)15(13)22/h3-7,12-16,20-22H,8H2,1-2H3/t12-,13+,14+,15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.60E+5n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 3 at 20 degC by competitive fluorescence polarization assay


Bioorg Med Chem 18: 5367-78 (2010)


Article DOI: 10.1016/j.bmc.2010.05.040
BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50326604
PNG
(CHEMBL1254601 | Methyl-3-deoxy-3-(4-(4-methoxyophe...)
Show SMILES COc1ccc(cc1)-c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O |r|
Show InChI InChI=1S/C16H21N3O5S/c1-23-10-5-3-9(4-6-10)11-7-19(18-17-11)13-14(21)12(8-20)24-16(25-2)15(13)22/h3-7,12-16,20-22H,8H2,1-2H3/t12-,13+,14+,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 9 N-terminal domain at 20 degC by competitive fluorescence polarization assay


Bioorg Med Chem 18: 5367-78 (2010)


Article DOI: 10.1016/j.bmc.2010.05.040
BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
More data for this
Ligand-Target Pair