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BDBM50326597 CHEMBL1253744::Di-(3-deoxy-3-(4-((2-hydroxypropylamino)carbonyl)-1H-1,2,3-triazol-1-yl)-beta-D-galactopyranosyl)sulfane

SMILES: CC(O)CNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCC(C)O)[C@@H]1O

InChI Key: InChIKey=XENMMIMWSABZKP-FYNBYZPISA-N

Data: 4 Kd

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 4 hits for monomerid = 50326597   
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))
BDBM50326597
PNG
(CHEMBL1253744 | Di-(3-deoxy-3-(4-((2-hydroxypropyl...)
Show SMILES CC(O)CNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCC(C)O)[C@@H]1O
Show InChI InChI=1S/C24H38N8O12S/c1-9(35)3-25-21(41)11-5-31(29-27-11)15-17(37)13(7-33)43-23(19(15)39)45-24-20(40)16(18(38)14(8-34)44-24)32-6-12(28-30-32)22(42)26-4-10(2)36/h5-6,9-10,13-20,23-24,33-40H,3-4,7-8H2,1-2H3,(H,25,41)(H,26,42)/t9?,10?,13-,14-,15+,16+,17+,18+,19-,20-,23+,24+/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 5.00E+3n/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))
BDBM50326597
PNG
(CHEMBL1253744 | Di-(3-deoxy-3-(4-((2-hydroxypropyl...)
Show SMILES CC(O)CNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCC(C)O)[C@@H]1O
Show InChI InChI=1S/C24H38N8O12S/c1-9(35)3-25-21(41)11-5-31(29-27-11)15-17(37)13(7-33)43-23(19(15)39)45-24-20(40)16(18(38)14(8-34)44-24)32-6-12(28-30-32)22(42)26-4-10(2)36/h5-6,9-10,13-20,23-24,33-40H,3-4,7-8H2,1-2H3,(H,25,41)(H,26,42)/t9?,10?,13-,14-,15+,16+,17+,18+,19-,20-,23+,24+/m1/s1
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n/an/an/a 120n/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))
BDBM50326597
PNG
(CHEMBL1253744 | Di-(3-deoxy-3-(4-((2-hydroxypropyl...)
Show SMILES CC(O)CNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCC(C)O)[C@@H]1O
Show InChI InChI=1S/C24H38N8O12S/c1-9(35)3-25-21(41)11-5-31(29-27-11)15-17(37)13(7-33)43-23(19(15)39)45-24-20(40)16(18(38)14(8-34)44-24)32-6-12(28-30-32)22(42)26-4-10(2)36/h5-6,9-10,13-20,23-24,33-40H,3-4,7-8H2,1-2H3,(H,25,41)(H,26,42)/t9?,10?,13-,14-,15+,16+,17+,18+,19-,20-,23+,24+/m1/s1
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n/an/an/a 2.10E+3n/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
Galectin-8


(Homo sapiens (Human))
BDBM50326597
PNG
(CHEMBL1253744 | Di-(3-deoxy-3-(4-((2-hydroxypropyl...)
Show SMILES CC(O)CNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCC(C)O)[C@@H]1O
Show InChI InChI=1S/C24H38N8O12S/c1-9(35)3-25-21(41)11-5-31(29-27-11)15-17(37)13(7-33)43-23(19(15)39)45-24-20(40)16(18(38)14(8-34)44-24)32-6-12(28-30-32)22(42)26-4-10(2)36/h5-6,9-10,13-20,23-24,33-40H,3-4,7-8H2,1-2H3,(H,25,41)(H,26,42)/t9?,10?,13-,14-,15+,16+,17+,18+,19-,20-,23+,24+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.80E+4n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 8 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