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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type 1 fimbrin D-mannose specific adhesin' and Ligand = 'BDBM50357407'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50357407
PNG
(CHEMBL1917308)
Show SMILES OC[C@H]1O[C@H](OCc2cn(nn2)C23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@@H](O)[C@@H]1O |r,THB:17:16:13:19.18.20,17:18:15.16.21:13,9:12:15:19.17.18,20:18:15:21.12.13,20:12:15:19.17.18|
Show InChI InChI=1S/C19H29N3O6/c23-8-14-15(24)16(25)17(26)18(28-14)27-9-13-7-22(21-20-13)19-4-10-1-11(5-19)3-12(2-10)6-19/h7,10-12,14-18,23-26H,1-6,8-9H2/t10?,11?,12?,14-,15-,16+,17+,18+,19?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 135n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia...

Bioorg Med Chem 19: 6454-73 (2011)


Article DOI: 10.1016/j.bmc.2011.08.057
BindingDB Entry DOI: 10.7270/Q2416XGX
More data for this
Ligand-Target Pair