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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'garcia-pino' and Initial = 'a'   
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))
BDBM50347460
PNG
(CHEMBL1170455)
Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 19n/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli J96 wild type FimH lectin domain expressed in Escherichia coli C43 (DE3) by reverse ITC analysis


J Med Chem 57: 1416-27 (2014)


Article DOI: 10.1021/jm401666c
BindingDB Entry DOI: 10.7270/Q2GX4D2N
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))
BDBM50347460
PNG
(CHEMBL1170455)
Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 17n/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli J96 wild type FimH lectin domain expressed in Escherichia coli C43 (DE3) by direct ITC analysis


J Med Chem 57: 1416-27 (2014)


Article DOI: 10.1021/jm401666c
BindingDB Entry DOI: 10.7270/Q2GX4D2N
More data for this
Ligand-Target Pair