Compile Data Set for Download or QSAR
Found 29 Enz. Inhib. hit(s) with all data for entry = 50033565
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347464(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
Affinity DataIC50: 4.80nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347465(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
Affinity DataIC50: 6.70nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347449(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
Affinity DataIC50: 10.4nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347450(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
Affinity DataIC50: 11.8nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347451(CHEMBL1802191)
Show SMILES COC(=O)c1ccc(cc1)-c1c(Cl)cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1Cl
Show InChI InChI=1S/C20H20Cl2O8/c1-28-19(27)10-4-2-9(3-5-10)15-12(21)6-11(7-13(15)22)29-20-18(26)17(25)16(24)14(8-23)30-20/h2-7,14,16-18,20,23-26H,8H2,1H3/t14-,16-,17+,18+,20+/m1/s1
Affinity DataIC50: 15.3nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347452(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
Affinity DataIC50: 16nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347453(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
Affinity DataIC50: 17.1nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347454(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
Affinity DataIC50: 20nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347455(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
Affinity DataIC50: 22nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347456(CHEMBL1802192)
Show SMILES OC[C@H]1O[C@H](Oc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H18Cl2O8/c20-11-5-10(28-19-17(25)16(24)15(23)13(7-22)29-19)6-12(21)14(11)8-1-3-9(4-2-8)18(26)27/h1-6,13,15-17,19,22-25H,7H2,(H,26,27)/p-1/t13-,15-,16+,17+,19+/m1/s1
Affinity DataIC50: 23.9nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347457(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
Affinity DataIC50: 27.6nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347458(CHEMBL1802195)
Show SMILES OC[C@H]1O[C@H](Oc2cc(ccc2Cl)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClO8/c20-12-6-5-11(9-1-3-10(4-2-9)18(25)26)7-13(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
Affinity DataIC50: 29.2nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347459(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
Affinity DataIC50: 38.7nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347460(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
Affinity DataIC50: 73nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM36025(phenyl-beta-d-glucopyranoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1
Affinity DataIC50: 150nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347461(CHEMBL1802183)
Show SMILES OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13+,14+/m1/s1
Affinity DataIC50: 210nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347462(CHEMBL1802184)
Show SMILES OC[C@H]1O[C@H](OCCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H22O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-19H,4,7-9H2/t11-,12-,13+,14+,15+/m1/s1
Affinity DataIC50: 253nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbrin D-mannose specific adhesin(Escherichia coli (strain K12))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347463(CHEMBL1170453)
Show SMILES OCC1OC(OCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2
Affinity DataIC50: 364nMAssay Description:Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347464(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
Affinity DataIC50: 9.00E+3nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347465(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
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347452(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
Affinity DataIC50: 1.40E+4nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347457(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
Affinity DataIC50: 1.70E+4nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347450(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
Affinity DataIC50: 3.10E+4nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347454(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
Affinity DataIC50: 3.30E+4nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347455(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
Affinity DataIC50: 4.10E+4nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347449(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
Affinity DataIC50: 4.20E+4nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347459(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
Affinity DataIC50: 4.50E+4nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347453(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
Affinity DataIC50: 4.50E+4nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair
TargetType 1 fimbiral adhesin FimH(Escherichia coli (strain UTI89 / UPEC))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50347460(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
Affinity DataIC50: 7.71E+4nMAssay Description:Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...More data for this Ligand-Target Pair