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BDBM103995 LecB Inhibitor Amides 4f

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

InChI Key: InChIKey=IKPSHISOVRXADL-PBEGFYESNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 103995   
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
LecB


(Pseudomonas aeruginosa)
BDBM103995
PNG
(LecB Inhibitor Amides 4f)
Show SMILES COC1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1/C21H25NO6/c1-27-21-19(25)18(24)17(23)15(28-21)12-22-20(26)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-19,21,23-25H,12H2,1H3,(H,22,26)/t15-,17-,18?,19+,21?/s2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.61E+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