Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'kostakioti' and Initial = 'm'   

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 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 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 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 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 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 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 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