Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'vallin-butruille' and Initial = 'a'   

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
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50509063 (CHEMBL4515649) Show SMILES C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc4cc(c5)C(C)(C)C)c8OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn5)nn4)C(C)(C)C)c7OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn5)nn4)C(C)(C)C)c6OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn4)C(C)(C)C)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C128H188N28O32/c1-77-105(161)109(165)113(169)121(185-77)181-73-97-65-145(141-133-97)37-25-17-21-33-101(157)153(173)69-93-61-149(137-129-93)41-29-45-177-117-81-49-83-55-90(126(8,9)10)57-85(118(83)178-46-30-42-150-62-94(130-138-150)70-154(174)102(158)34-22-18-26-38-146-66-98(134-142-146)74-182-122-114(170)110(166)106(162)78(2)186-122)51-87-59-92(128(14,15)16)60-88(120(87)180-48-32-44-152-64-96(132-140-152)72-156(176)104(160)36-24-20-28-40-148-68-100(136-144-148)76-184-124-116(172)112(168)108(164)80(4)188-124)52-86-58-91(127(11,12)13)56-84(50-82(117)54-89(53-81)125(5,6)7)119(86)179-47-31-43-151-63-95(131-139-151)71-155(175)103(159)35-23-19-27-39-147-67-99(135-143-147)75-183-123-115(171)111(167)107(163)79(3)187-123/h53-68,77-80,105-116,121-124,161-176H,17-52,69-76H2,1-16H3/t77-,78-,79-,80-,105+,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,121+,122+,123+,124+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Universit£ de Picardie Jules Verne Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay				J Med Chem 62: 7722-7738 (2019) Article DOI: 10.1021/acs.jmedchem.9b00481 BindingDB Entry DOI: 10.7270/Q2DB8554
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50509060 (CHEMBL4515315) Show SMILES C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)NOCc3ccccc3)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H32N4O7/c1-15-19(28)20(29)21(30)22(33-15)31-14-17-12-26(25-23-17)11-7-3-6-10-18(27)24-32-13-16-8-4-2-5-9-16/h2,4-5,8-9,12,15,19-22,28-30H,3,6-7,10-11,13-14H2,1H3,(H,24,27)/t15-,19+,20+,21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Universit£ de Picardie Jules Verne Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay				J Med Chem 62: 7722-7738 (2019) Article DOI: 10.1021/acs.jmedchem.9b00481 BindingDB Entry DOI: 10.7270/Q2DB8554
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50509061 (CHEMBL4554703) Show SMILES CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn2)nn1)c5OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn2)nn1)C(C)(C)C)c4OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn2)nn1)C(C)(C)C)c3OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)nn1)C(C)(C)C |r| Show InChI InChI=1S/C128H188N28O36/c1-125(2,3)85-49-77-45-79-51-86(126(4,5)6)53-81(118(79)182-42-26-38-150-58-90(130-138-150)66-154(178)102(162)30-18-14-22-34-146-62-94(134-142-146)74-186-122-114(174)110(170)106(166)98(70-158)190-122)47-83-55-88(128(10,11)12)56-84(120(83)184-44-28-40-152-60-92(132-140-152)68-156(180)104(164)32-20-16-24-36-148-64-96(136-144-148)76-188-124-116(176)112(172)108(168)100(72-160)192-124)48-82-54-87(127(7,8)9)52-80(119(82)183-43-27-39-151-59-91(131-139-151)67-155(179)103(163)31-19-15-23-35-147-63-95(135-143-147)75-187-123-115(175)111(171)107(167)99(71-159)191-123)46-78(50-85)117(77)181-41-25-37-149-57-89(129-137-149)65-153(177)101(161)29-17-13-21-33-145-61-93(133-141-145)73-185-121-113(173)109(169)105(165)97(69-157)189-121/h49-64,97-100,105-116,121-124,157-160,165-180H,13-48,65-76H2,1-12H3/t97-,98-,99-,100-,105-,106-,107-,108-,109+,110+,111+,112+,113+,114+,115+,116+,121+,122+,123+,124+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	664	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Universit£ de Picardie Jules Verne Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay				J Med Chem 62: 7722-7738 (2019) Article DOI: 10.1021/acs.jmedchem.9b00481 BindingDB Entry DOI: 10.7270/Q2DB8554
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50505617 (CHEMBL1234282) Show SMILES CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Universit£ de Picardie Jules Verne Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay				J Med Chem 62: 7722-7738 (2019) Article DOI: 10.1021/acs.jmedchem.9b00481 BindingDB Entry DOI: 10.7270/Q2DB8554
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50242419 (6-Deoxy-L-galactose | 6-deoxy-L-galactopyranoseL-f...) Show SMILES C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Universit£ de Picardie Jules Verne Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay				J Med Chem 62: 7722-7738 (2019) Article DOI: 10.1021/acs.jmedchem.9b00481 BindingDB Entry DOI: 10.7270/Q2DB8554
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50509062 (CHEMBL4587299) Show SMILES OC[C@H]1O[C@H](OCc2cn(CCCCCC(=O)NOCc3ccccc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H32N4O8/c27-12-17-19(29)20(30)21(31)22(34-17)32-14-16-11-26(25-23-16)10-6-2-5-9-18(28)24-33-13-15-7-3-1-4-8-15/h1,3-4,7-8,11,17,19-22,27,29-31H,2,5-6,9-10,12-14H2,(H,24,28)/t17-,19-,20+,21+,22+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+5	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Universit£ de Picardie Jules Verne Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay				J Med Chem 62: 7722-7738 (2019) Article DOI: 10.1021/acs.jmedchem.9b00481 BindingDB Entry DOI: 10.7270/Q2DB8554
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50166886 (CHEMBL195368 | methyl alpha-D-mannoside) Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Universit£ de Picardie Jules Verne Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay				J Med Chem 62: 7722-7738 (2019) Article DOI: 10.1021/acs.jmedchem.9b00481 BindingDB Entry DOI: 10.7270/Q2DB8554
					More data for this Ligand-Target Pair