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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Type 1 fimbiral adhesin FimH' AND taxid = 364106   
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 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197181
PNG
(CHEMBL3899291)
Show SMILES Cc1cc(ccc1[C@@H](O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2cc[nH]c(=O)c2c1
Show InChI InChI=1S/C23H25NO7/c1-11-8-13(14-3-2-12-6-7-24-23(30)16(12)9-14)4-5-15(11)18(26)22-21(29)20(28)19(27)17(10-25)31-22/h2-9,17-22,25-29H,10H2,1H3,(H,24,30)/t17-,18-,19-,20+,21+,22-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197180
PNG
(CHEMBL3945119)
Show SMILES Cc1cc(ccc1[C@@H](O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C23H27NO7/c1-11-8-13(14-3-2-12-6-7-24-23(30)16(12)9-14)4-5-15(11)18(26)22-21(29)20(28)19(27)17(10-25)31-22/h2-5,8-9,17-22,25-29H,6-7,10H2,1H3,(H,24,30)/t17-,18-,19-,20+,21+,22-/m1/s1
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Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197182
PNG
(CHEMBL3961517)
Show SMILES Cc1cc(ccc1[C@@H](O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2ccnc(N)c2c1
Show InChI InChI=1S/C23H26N2O6/c1-11-8-13(14-3-2-12-6-7-25-23(24)16(12)9-14)4-5-15(11)18(27)22-21(30)20(29)19(28)17(10-26)31-22/h2-9,17-22,26-30H,10H2,1H3,(H2,24,25)/t17-,18-,19-,20+,21+,22-/m1/s1
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Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197178
PNG
(CHEMBL3894223)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc([C@@H](O)[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(C)c1
Show InChI InChI=1S/C22H27NO7/c1-11-8-13(12-4-3-5-14(9-12)22(29)23-2)6-7-15(11)17(25)21-20(28)19(27)18(26)16(10-24)30-21/h3-9,16-21,24-28H,10H2,1-2H3,(H,23,29)/t16-,17-,18-,19+,20+,21-/m1/s1
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Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197172
PNG
(CHEMBL3936194)
Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2cc[nH]c(=O)c2c1
Show InChI InChI=1S/C22H23NO7/c1-11-8-13(14-3-2-12-6-7-23-21(28)15(12)9-14)4-5-16(11)29-22-20(27)19(26)18(25)17(10-24)30-22/h2-9,17-20,22,24-27H,10H2,1H3,(H,23,28)/t17-,18-,19+,20+,22+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197173
PNG
(CHEMBL3923903)
Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1cccc2cnccc12
Show InChI InChI=1S/C22H23NO6/c1-12-9-13(15-4-2-3-14-10-23-8-7-16(14)15)5-6-17(12)28-22-21(27)20(26)19(25)18(11-24)29-22/h2-10,18-22,24-27H,11H2,1H3/t18-,19-,20+,21+,22+/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197185
PNG
(CHEMBL2058201)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(C)c1
Show InChI InChI=1S/C21H25NO7/c1-11-8-13(12-4-3-5-14(9-12)20(27)22-2)6-7-15(11)28-21-19(26)18(25)17(24)16(10-23)29-21/h3-9,16-19,21,23-26H,10H2,1-2H3,(H,22,27)/t16-,17-,18+,19+,21+/m1/s1
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Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197174
PNG
(CHEMBL3908258)
Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C22H25NO7/c1-11-8-13(14-3-2-12-6-7-23-21(28)15(12)9-14)4-5-16(11)29-22-20(27)19(26)18(25)17(10-24)30-22/h2-5,8-9,17-20,22,24-27H,6-7,10H2,1H3,(H,23,28)/t17-,18-,19+,20+,22+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197176
PNG
(CHEMBL3892524)
Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2ccnc(N)c2c1
Show InChI InChI=1S/C22H24N2O6/c1-11-8-13(14-3-2-12-6-7-24-21(23)15(12)9-14)4-5-16(11)29-22-20(28)19(27)18(26)17(10-25)30-22/h2-9,17-20,22,25-28H,10H2,1H3,(H2,23,24)/t17-,18-,19+,20+,22+/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197183
PNG
(CHEMBL3973443)
Show SMILES Cc1cc(ccc1[C@@H](O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1cccc2cnccc12
Show InChI InChI=1S/C23H25NO6/c1-12-9-13(16-4-2-3-14-10-24-8-7-17(14)16)5-6-15(12)19(26)23-22(29)21(28)20(27)18(11-25)30-23/h2-10,18-23,25-29H,11H2,1H3/t18-,19-,20-,21+,22+,23-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197175
PNG
(CHEMBL3927866)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)[C@@H](O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H25NO7/c1-22-21(28)14-4-2-3-13(9-14)11-5-7-12(8-6-11)16(24)20-19(27)18(26)17(25)15(10-23)29-20/h2-9,15-20,23-27H,10H2,1H3,(H,22,28)/t15-,16-,17-,18+,19+,20-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197179
PNG
(CHEMBL1172856)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1
Show InChI InChI=1S/C20H23NO7/c1-21-19(26)13-4-2-3-12(9-13)11-5-7-14(8-6-11)27-20-18(25)17(24)16(23)15(10-22)28-20/h2-9,15-18,20,22-25H,10H2,1H3,(H,21,26)/t15-,16-,17+,18+,20+/m1/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347464
PNG
(CHEMBL1802187)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(Cl)c1
Show InChI InChI=1S/C20H21ClO8/c1-27-19(26)11-4-2-10(3-5-11)12-6-7-14(13(21)8-12)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347465
PNG
(CHEMBL1802185)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2Cl)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClO8/c20-12-7-11(9-1-3-10(4-2-9)18(25)26)5-6-13(12)27-19-17(24)16(23)15(22)14(8-21)28-19/h1-7,14-17,19,21-24H,8H2,(H,25,26)/p-1/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197177
PNG
(CHEMBL3953852)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc([C@H](O)[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(C)c1
Show InChI InChI=1S/C22H27NO7/c1-11-8-13(12-4-3-5-14(9-12)22(29)23-2)6-7-15(11)17(25)21-20(28)19(27)18(26)16(10-24)30-21/h3-9,16-21,24-28H,10H2,1-2H3,(H,23,29)/t16-,17+,18-,19+,20+,21-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347452
PNG
(CHEMBL1802190)
Show SMILES COC(=O)c1ccc(cc1)-c1cc(Cl)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2O8/c1-28-19(27)10-4-2-9(3-5-10)11-6-12(21)18(13(22)7-11)30-20-17(26)16(25)15(24)14(8-23)29-20/h2-7,14-17,20,23-26H,8H2,1H3/t14-,15-,16+,17+,20-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347457
PNG
(CHEMBL1802189)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(c(Cl)c2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClO8/c20-13-7-11(27-19-17(24)16(23)15(22)14(8-21)28-19)5-6-12(13)9-1-3-10(4-2-9)18(25)26/h1-7,14-17,19,21-24H,8H2,(H,25,26)/p-1/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347450
PNG
(CHEMBL1802194)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Cl)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1
Show InChI InChI=1S/C20H21ClO8/c1-27-19(26)11-4-2-10(3-5-11)12-6-7-13(21)14(8-12)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347454
PNG
(CHEMBL1171678)
Show SMILES COC(=O)c1ccc(cc1)-c1cccc(OC2OC(CO)C(O)C(O)C2O)c1
Show InChI InChI=1S/C20H22O8/c1-26-19(25)12-7-5-11(6-8-12)13-3-2-4-14(9-13)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50197184
PNG
(CHEMBL3955472)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)[C@H](O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H25NO7/c1-22-21(28)14-4-2-3-13(9-14)11-5-7-12(8-6-11)16(24)20-19(27)18(26)17(25)15(10-23)29-20/h2-9,15-20,23-27H,10H2,1H3,(H,22,28)/t15-,16+,17-,18+,19+,20-/m1/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Fimbrion Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay


J Med Chem 59: 9390-9408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00948
BindingDB Entry DOI: 10.7270/Q2NG4SK0
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347455
PNG
(CHEMBL1802188)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1Cl
Show InChI InChI=1S/C20H21ClO8/c1-27-19(26)11-4-2-10(3-5-11)13-7-6-12(8-14(13)21)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347449
PNG
(CHEMBL1171278)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1
Show InChI InChI=1S/C20H22O8/c1-26-19(25)13-4-2-11(3-5-13)12-6-8-14(9-7-12)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347453
PNG
(CHEMBL1802186)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-7-5-11(6-8-13)10-1-3-12(4-2-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)/p-1/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347459
PNG
(CHEMBL1802193)
Show SMILES OC[C@H]1O[C@H](Oc2cccc(c2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-3-1-2-12(8-13)10-4-6-11(7-5-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)/p-1/t14-,15-,16+,17+,19+/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
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
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n/an/a 7.71E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair