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BDBM103996 LecB Inhibitor Amides 4g

SMILES: COC1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)C(O)[C@@H]1O

InChI Key: InChIKey=LHFOPICMJLPBDI-YPLIVNEISA-N

Data: 1 IC50  1 Kd

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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 = 103996   
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)
BDBM103996
PNG
(LecB Inhibitor Amides 4g)
Show SMILES COC1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C16H21NO6/c1-22-16-15(21)14(20)13(19)11(23-16)9-17-12(18)8-7-10-5-3-2-4-6-10/h2-8,11,13-16,19-21H,9H2,1H3,(H,17,18)/b8-7+/t11-,13-,14?,15+,16?/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.74E+4 1.85E+4n/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