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BDBM103983 LecB Inhibitor Triazoles 2a

SMILES: COC1O[C@H](Cn2cc(CO)nn2)[C@@H](O)C(O)[C@@H]1O

InChI Key: InChIKey=YYRHVGIDRLQVGZ-LFBHSMIUSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 103983   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LecB


(Pseudomonas aeruginosa)
BDBM103983
PNG
(LecB Inhibitor Triazoles 2a)
Show SMILES COC1O[C@H](Cn2cc(CO)nn2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C10H17N3O6/c1-18-10-9(17)8(16)7(15)6(19-10)3-13-2-5(4-14)11-12-13/h2,6-10,14-17H,3-4H2,1H3/t6-,7-,8?,9+,10?/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.78E+5n/an/an/an/an/an/a



University of Konstanz





ACS Chem Biol 8: 1775-84 (2013)


Article DOI: 10.1021/cb400371r
BindingDB Entry DOI: 10.7270/Q21J98C3
More data for this
Ligand-Target Pair