BindingDB logo
myBDB logout

null

SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NC(C)=O)c1

InChI Key: InChIKey=QWSVCMSXOCCNSN-QMCAAQAGSA-N

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 = 50507930   
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
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507930
PNG
(CHEMBL4439694)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C22H26N2O7/c1-12(26)23-15-7-5-6-14(10-15)16-8-3-4-9-17(16)30-22-19(24-13(2)27)21(29)20(28)18(11-25)31-22/h3-10,18-22,25,28-29H,11H2,1-2H3,(H,23,26)(H,24,27)/t18-,19-,20+,21-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
More data for this
Ligand-Target Pair