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BDBM104000 LecB Inhibitor Amines 3d

SMILES: COC1O[C@H](CNCc2ccc(Cl)cc2)[C@@H](O)C(O)[C@@H]1O

InChI Key: InChIKey=UOQUWMZBAWRMFM-WCCYQHBJSA-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 = 104000   
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)
BDBM104000
PNG
(LecB Inhibitor Amines 3d)
Show SMILES COC1O[C@H](CNCc2ccc(Cl)cc2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C14H20ClNO5/c1-20-14-13(19)12(18)11(17)10(21-14)7-16-6-8-2-4-9(15)5-3-8/h2-5,10-14,16-19H,6-7H2,1H3/t10-,11-,12?,13+,14?/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.12E+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