BindingDB logo
myBDB logout

null

SMILES: OCC1O[C@@H](S[C@@H]2OC(CO)[C@H](O)C(C2O)n2cc(nn2)-c2cccc(F)c2)C(O)C([C@H]1O)n1cc(nn1)-c1cccc(F)c1

InChI Key: InChIKey=YGIDGBAHDZEYMT-RHVMKWISSA-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 4 hits for monomerid = 223993   
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 [C3S]


(Homo sapiens (Human))
BDBM223993
PNG
(TD139)
Show SMILES OCC1O[C@@H](S[C@@H]2OC(CO)[C@H](O)C(C2O)n2cc(nn2)-c2cccc(F)c2)C(O)C([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19?,20?,21?,22?,23-,24-,25?,26?,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.20E+3n/an/an/an/a4



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM223993
PNG
(TD139)
Show SMILES OCC1O[C@@H](S[C@@H]2OC(CO)[C@H](O)C(C2O)n2cc(nn2)-c2cccc(F)c2)C(O)C([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19?,20?,21?,22?,23-,24-,25?,26?,27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.20E+4n/an/an/an/a4



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM223993
PNG
(TD139)
Show SMILES OCC1O[C@@H](S[C@@H]2OC(CO)[C@H](O)C(C2O)n2cc(nn2)-c2cccc(F)c2)C(O)C([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19?,20?,21?,22?,23-,24-,25?,26?,27-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 166n/an/an/an/a25



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM223993
PNG
(TD139)
Show SMILES OCC1O[C@@H](S[C@@H]2OC(CO)[C@H](O)C(C2O)n2cc(nn2)-c2cccc(F)c2)C(O)C([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19?,20?,21?,22?,23-,24-,25?,26?,27-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 36n/an/an/an/a4



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair