Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'kalas' and Initial = 'v'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197181 (CHEMBL3899291) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1C)-c1ccc2cc[nH]c(=O)c2c1 |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50197182 (CHEMBL3961517) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1C)-c1ccc2ccnc(N)c2c1 |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL3945119) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1C)-c1ccc2CCNC(=O)c2c1 |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50197178 (CHEMBL3894223) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1C)-c1cccc(c1)C(=O)NC |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50197172 (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 |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL3923903) Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1cccc2cnccc12 |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/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 (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 |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507951 (CHEMBL4561506) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C21H26N2O8S/c1-12(25)22-18-20(27)19(26)17(11-24)31-21(18)30-16-9-4-3-8-15(16)13-6-5-7-14(10-13)23-32(2,28)29/h3-10,17-21,23-24,26-27H,11H2,1-2H3,(H,22,25)/t17-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197174 (CHEMBL3908258) Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2CCNC(=O)c2c1 |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/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 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507943 (CHEMBL4546828) Show SMILES OC[C@H]1O[C@@H](Oc2ccccc2-c2cc(cc(c2)[N+]([O-])=O)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H19NO10/c21-8-14-15(22)16(23)17(24)19(30-14)29-13-4-2-1-3-12(13)9-5-10(18(25)26)7-11(6-9)20(27)28/h1-7,14-17,19,21-24H,8H2,(H,25,26)/t14-,15+,16+,17-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507930 (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/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197176 (CHEMBL3892524) Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2ccnc(N)c2c1 |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/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 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507945 (CHEMBL4434673) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NC(=O)C(F)(F)F)c1 |r| Show InChI InChI=1S/C22H23F3N2O7/c1-11(29)26-17-19(31)18(30)16(10-28)34-20(17)33-15-8-3-2-7-14(15)12-5-4-6-13(9-12)27-21(32)22(23,24)25/h2-9,16-20,28,30-31H,10H2,1H3,(H,26,29)(H,27,32)/t16-,17-,18+,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507942 (CHEMBL4527281) Show SMILES COc1ccc(O)cc1-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |r| Show InChI InChI=1S/C21H25NO8/c1-11(24)22-18-20(27)19(26)17(10-23)30-21(18)29-16-6-4-3-5-13(16)14-9-12(25)7-8-15(14)28-2/h3-9,17-21,23,25-27H,10H2,1-2H3,(H,22,24)/t17-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197183 (CHEMBL3973443) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1C)-c1cccc2cnccc12 |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507931 (CHEMBL4469032) Show SMILES COC(=O)Nc1cccc(c1)-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |r| Show InChI InChI=1S/C22H26N2O8/c1-12(26)23-18-20(28)19(27)17(11-25)32-21(18)31-16-9-4-3-8-15(16)13-6-5-7-14(10-13)24-22(29)30-2/h3-10,17-21,25,27-28H,11H2,1-2H3,(H,23,26)(H,24,29)/t17-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507929 (CHEMBL4555886) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(CO)c1 |r| Show InChI InChI=1S/C21H25NO7/c1-12(25)22-18-20(27)19(26)17(11-24)29-21(18)28-16-8-3-2-7-15(16)14-6-4-5-13(9-14)10-23/h2-9,17-21,23-24,26-27H,10-11H2,1H3,(H,22,25)/t17-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507926 (CHEMBL4530691) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C21H23NO8/c1-11(24)22-17-19(26)18(25)16(10-23)30-21(17)29-15-8-3-2-7-14(15)12-5-4-6-13(9-12)20(27)28/h2-9,16-19,21,23,25-26H,10H2,1H3,(H,22,24)(H,27,28)/t16-,17-,18+,19-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507917 (CHEMBL4515623) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(O)c1 |r| Show InChI InChI=1S/C20H23NO7/c1-11(23)21-17-19(26)18(25)16(10-22)28-20(17)27-15-8-3-2-7-14(15)12-5-4-6-13(24)9-12/h2-9,16-20,22,24-26H,10H2,1H3,(H,21,23)/t16-,17-,18+,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507928 (CHEMBL4440300) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H25NO8S/c1-12(24)22-18-20(26)19(25)17(11-23)30-21(18)29-16-9-4-3-8-15(16)13-6-5-7-14(10-13)31(2,27)28/h3-10,17-21,23,25-26H,11H2,1-2H3,(H,22,24)/t17-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507923 (CHEMBL4439954) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(OS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C21H25NO9S/c1-12(24)22-18-20(26)19(25)17(11-23)30-21(18)29-16-9-4-3-8-15(16)13-6-5-7-14(10-13)31-32(2,27)28/h3-10,17-21,23,25-26H,11H2,1-2H3,(H,22,24)/t17-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197175 (CHEMBL3927866) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1)-c1cccc(c1)C(=O)NC |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/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 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507944 (CHEMBL4550587) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)C#N |r| Show InChI InChI=1S/C21H22N2O6/c1-12(25)23-18-20(27)19(26)17(11-24)29-21(18)28-16-8-3-2-7-15(16)14-6-4-5-13(9-14)10-22/h2-9,17-21,24,26-27H,11H2,1H3,(H,23,25)/t17-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507920 (CHEMBL4451678) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NS(=O)(=O)C(F)(F)F)c1 |r| Show InChI InChI=1S/C21H23F3N2O8S/c1-11(28)25-17-19(30)18(29)16(10-27)34-20(17)33-15-8-3-2-7-14(15)12-5-4-6-13(9-12)26-35(31,32)21(22,23)24/h2-9,16-20,26-27,29-30H,10H2,1H3,(H,25,28)/t16-,17-,18+,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197179 (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 |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/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 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507919 (CHEMBL4451201) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3NO6/c1-11(27)25-17-19(29)18(28)16(10-26)31-20(17)30-15-8-3-2-7-14(15)12-5-4-6-13(9-12)21(22,23)24/h2-9,16-20,26,28-29H,10H2,1H3,(H,25,27)/t16-,17-,18+,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507921 (CHEMBL4522125) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(F)c1 |r| Show InChI InChI=1S/C20H22FNO6/c1-11(24)22-17-19(26)18(25)16(10-23)28-20(17)27-15-8-3-2-7-14(15)12-5-4-6-13(21)9-12/h2-9,16-20,23,25-26H,10H2,1H3,(H,22,24)/t16-,17-,18+,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507933 (CHEMBL4568291) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C21H24N2O7/c1-11(25)23-17-19(27)18(26)16(10-24)30-21(17)29-15-8-3-2-7-14(15)12-5-4-6-13(9-12)20(22)28/h2-9,16-19,21,24,26-27H,10H2,1H3,(H2,22,28)(H,23,25)/t16-,17-,18+,19-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507934 (CHEMBL4585370) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23NO8S/c1-29(25,26)20-12-6-4-5-11(9-12)13-7-2-3-8-14(13)27-19-18(24)17(23)16(22)15(10-21)28-19/h2-9,15-24H,10H2,1H3/t15-,16+,17+,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507927 (CHEMBL4463579) Show SMILES COc1cccc(c1)-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |r| Show InChI InChI=1S/C21H25NO7/c1-12(24)22-18-20(26)19(25)17(11-23)29-21(18)28-16-9-4-3-8-15(16)13-6-5-7-14(10-13)27-2/h3-10,17-21,23,25-26H,11H2,1-2H3,(H,22,24)/t17-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507925 (CHEMBL4461841) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cc(cc(c1)[N+]([O-])=O)C(O)=O |r| Show InChI InChI=1S/C21H22N2O10/c1-10(25)22-17-19(27)18(26)16(9-24)33-21(17)32-15-5-3-2-4-14(15)11-6-12(20(28)29)8-13(7-11)23(30)31/h2-8,16-19,21,24,26-27H,9H2,1H3,(H,22,25)(H,28,29)/t16-,17-,18+,19-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507950 (CHEMBL4550409) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C20H22N2O8/c1-11(24)21-17-19(26)18(25)16(10-23)30-20(17)29-15-8-3-2-7-14(15)12-5-4-6-13(9-12)22(27)28/h2-9,16-20,23,25-26H,10H2,1H3,(H,21,24)/t16-,17-,18+,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507932 (CHEMBL4455403) Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |r| Show InChI InChI=1S/C23H28N2O7/c1-13(27)24-19-21(29)20(28)18(12-26)32-23(19)31-17-10-5-4-9-16(17)14-7-6-8-15(11-14)22(30)25(2)3/h4-11,18-21,23,26,28-29H,12H2,1-3H3,(H,24,27)/t18-,19-,20+,21-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507946 (CHEMBL4452705) Show SMILES CNC(=O)c1cccc(c1)-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |r| Show InChI InChI=1S/C22H26N2O7/c1-12(26)24-18-20(28)19(27)17(11-25)31-22(18)30-16-9-4-3-8-15(16)13-6-5-7-14(10-13)21(29)23-2/h3-10,17-20,22,25,27-28H,11H2,1-2H3,(H,23,29)(H,24,26)/t17-,18-,19+,20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507922 (CHEMBL4576744) Show SMILES COc1ccc(OS(C)(=O)=O)cc1-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |r| Show InChI InChI=1S/C22H27NO10S/c1-12(25)23-19-21(27)20(26)18(11-24)32-22(19)31-17-7-5-4-6-14(17)15-10-13(33-34(3,28)29)8-9-16(15)30-2/h4-10,18-22,24,26-27H,11H2,1-3H3,(H,23,25)/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/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507924 (CHEMBL4459654) Show SMILES COc1ccc(cc1-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C22H25NO9/c1-11(25)23-18-20(27)19(26)17(10-24)32-22(18)31-16-6-4-3-5-13(16)14-9-12(21(28)29)7-8-15(14)30-2/h3-9,17-20,22,24,26-27H,10H2,1-2H3,(H,23,25)(H,28,29)/t17-,18-,19+,20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197177 (CHEMBL3953852) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](O)c1ccc(cc1C)-c1cccc(c1)C(=O)NC |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507940 (CHEMBL4546725) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(c1-c1cccc(NS(C)(=O)=O)c1)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N2O8S/c1-11(29)26-18-20(31)19(30)16(10-28)35-21(18)34-15-8-4-7-14(22(23,24)25)17(15)12-5-3-6-13(9-12)27-36(2,32)33/h3-9,16,18-21,27-28,30-31H,10H2,1-2H3,(H,26,29)/t16-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197184 (CHEMBL3955472) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](O)c1ccc(cc1)-c1cccc(c1)C(=O)NC |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/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 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507947 (CHEMBL4592304) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(C#N)c1-c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H25N3O8S/c1-12(27)24-19-21(29)20(28)17(11-26)33-22(19)32-16-8-4-6-14(10-23)18(16)13-5-3-7-15(9-13)25-34(2,30)31/h3-9,17,19-22,25-26,28-29H,11H2,1-2H3,(H,24,27)/t17-,19-,20+,21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507949 (CHEMBL4474727) Show SMILES Cc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(=O)C(F)(F)F)c1-c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H25F3N2O8S/c1-11-5-3-8-14(16(11)12-6-4-7-13(9-12)27-36(2,32)33)34-20-17(26-21(31)22(23,24)25)19(30)18(29)15(10-28)35-20/h3-9,15,17-20,27-30H,10H2,1-2H3,(H,26,31)/t15-,17-,18+,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507939 (CHEMBL4572384) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(C)c1-c1cccc(NS(=O)(=O)C2CC2)c1 |r| Show InChI InChI=1S/C24H30N2O8S/c1-13-5-3-8-18(33-24-21(25-14(2)28)23(30)22(29)19(12-27)34-24)20(13)15-6-4-7-16(11-15)26-35(31,32)17-9-10-17/h3-8,11,17,19,21-24,26-27,29-30H,9-10,12H2,1-2H3,(H,25,28)/t19-,21-,22+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507935 (CHEMBL4471010) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(c1-c1cccc(NS(C)(=O)=O)c1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H25N3O10S/c1-11(26)22-18-20(28)19(27)16(10-25)34-21(18)33-15-8-4-7-14(24(29)30)17(15)12-5-3-6-13(9-12)23-35(2,31)32/h3-9,16,18-21,23,25,27-28H,10H2,1-2H3,(H,22,26)/t16-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507918 (CHEMBL4582365) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(C)c1-c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H28N2O8S/c1-12-6-4-9-16(18(12)14-7-5-8-15(10-14)24-33(3,29)30)31-22-19(23-13(2)26)21(28)20(27)17(11-25)32-22/h4-10,17,19-22,24-25,27-28H,11H2,1-3H3,(H,23,26)/t17-,19-,20+,21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507948 (CHEMBL4466090) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(C(O)=O)c1-c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H26N2O10S/c1-11(26)23-18-20(28)19(27)16(10-25)34-22(18)33-15-8-4-7-14(21(29)30)17(15)12-5-3-6-13(9-12)24-35(2,31)32/h3-9,16,18-20,22,24-25,27-28H,10H2,1-2H3,(H,23,26)(H,29,30)/t16-,18-,19+,20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507941 (CHEMBL4465903) Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1c(C)cccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |r| Show InChI InChI=1S/C23H31N3O8S/c1-13-7-5-10-17(19(13)15-8-6-9-16(11-15)25-35(31,32)26(3)4)33-23-20(24-14(2)28)22(30)21(29)18(12-27)34-23/h5-11,18,20-23,25,27,29-30H,12H2,1-4H3,(H,24,28)/t18-,20-,21+,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507938 (CHEMBL4443004) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc2ccccc2c1-c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C25H28N2O8S/c1-14(29)26-22-24(31)23(30)20(13-28)35-25(22)34-19-11-10-15-6-3-4-9-18(15)21(19)16-7-5-8-17(12-16)27-36(2,32)33/h3-12,20,22-25,27-28,30-31H,13H2,1-2H3,(H,26,29)/t20-,22-,23+,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507936 (CHEMBL4436681) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(F)c1-c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C21H25FN2O8S/c1-11(26)23-18-20(28)19(27)16(10-25)32-21(18)31-15-8-4-7-14(22)17(15)12-5-3-6-13(9-12)24-33(2,29)30/h3-9,16,18-21,24-25,27-28H,10H2,1-2H3,(H,23,26)/t16-,18-,19+,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507937 (CHEMBL4466172) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(C(=O)OCc2ccccc2)c1-c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C29H32N2O10S/c1-17(33)30-25-27(35)26(34)23(15-32)41-29(25)40-22-13-7-12-21(28(36)39-16-18-8-4-3-5-9-18)24(22)19-10-6-11-20(14-19)31-42(2,37)38/h3-14,23,25-27,29,31-32,34-35H,15-16H2,1-2H3,(H,30,33)/t23-,25-,26+,27-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50507953 (CHEMBL4436002) Show SMILES COc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)c1-c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H28N2O9S/c1-12(26)23-19-21(28)20(27)17(11-25)33-22(19)32-16-9-5-8-15(31-2)18(16)13-6-4-7-14(10-13)24-34(3,29)30/h4-10,17,19-22,24-25,27-28H,11H2,1-3H3,(H,23,26)/t17-,19-,20+,21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2Q52SWS
					More data for this Ligand-Target Pair

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