BindingDB logo
myBDB logout

BDBM50094301 CHEMBL3590103

SMILES: CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](CC(O)=O)C(O)=O)[C@H]1O

InChI Key: InChIKey=YKMDOKJBGDNCAX-VWLOTQADSA-N

Data: 1 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 1 hit for monomerid = 50094301   
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))
BDBM50094301
PNG
(CHEMBL3590103)
Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](CC(O)=O)C(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C27H47N5O3/c28-14-6-17-29-15-4-5-16-30-18-7-19-31-27(35)25(20-23-10-12-24(33)13-11-23)32-26(34)21-22-8-2-1-3-9-22/h10-13,22,25,29-30,33H,1-9,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/a 11n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair