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SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCC=C)[C@H]2O)[C@H](O)[C@H]1NC(C)=O

InChI Key: InChIKey=PTSJGKXPZIMJMB-NKASNZMPSA-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 5 hits for monomerid = 21522   
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-1


(Homo sapiens (Human))
BDBM21522
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCC=C)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C19H33N3O10S/c1-4-5-20-19(33)22-11-13(26)9(6-23)30-18(15(11)28)32-16-10(7-24)31-17(29-3)12(14(16)27)21-8(2)25/h4,9-18,23-24,26-28H,1,5-7H2,2-3H3,(H,21,25)(H2,20,22,33)/t9-,10-,11+,12-,13+,14-,15-,16-,17-,18+/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.40E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM21522
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCC=C)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C19H33N3O10S/c1-4-5-20-19(33)22-11-13(26)9(6-23)30-18(15(11)28)32-16-10(7-24)31-17(29-3)12(14(16)27)21-8(2)25/h4,9-18,23-24,26-28H,1,5-7H2,2-3H3,(H,21,25)(H2,20,22,33)/t9-,10-,11+,12-,13+,14-,15-,16-,17-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.20E+4n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM21522
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCC=C)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C19H33N3O10S/c1-4-5-20-19(33)22-11-13(26)9(6-23)30-18(15(11)28)32-16-10(7-24)31-17(29-3)12(14(16)27)21-8(2)25/h4,9-18,23-24,26-28H,1,5-7H2,2-3H3,(H,21,25)(H2,20,22,33)/t9-,10-,11+,12-,13+,14-,15-,16-,17-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 9.70E+4n/an/an/an/an/a



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM21522
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCC=C)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C19H33N3O10S/c1-4-5-20-19(33)22-11-13(26)9(6-23)30-18(15(11)28)32-16-10(7-24)31-17(29-3)12(14(16)27)21-8(2)25/h4,9-18,23-24,26-28H,1,5-7H2,2-3H3,(H,21,25)(H2,20,22,33)/t9-,10-,11+,12-,13+,14-,15-,16-,17-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>3.00E+6n/an/an/an/an/a



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM21522
PNG
(N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCC=C)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C19H33N3O10S/c1-4-5-20-19(33)22-11-13(26)9(6-23)30-18(15(11)28)32-16-10(7-24)31-17(29-3)12(14(16)27)21-8(2)25/h4,9-18,23-24,26-28H,1,5-7H2,2-3H3,(H,21,25)(H2,20,22,33)/t9-,10-,11+,12-,13+,14-,15-,16-,17-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 1.00E+5n/an/an/an/an/a



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


Bioorg Med Chem 14: 1215-20 (2006)


Article DOI: 10.1016/j.bmc.2005.09.050
BindingDB Entry DOI: 10.7270/Q2B856FP
More data for this
Ligand-Target Pair