Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'dias-baruffi' 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
Trans-sialidase (Trypanosoma cruzi)	BDBM84698 (Quinolinone derivative, 9) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(\C(=C/c2ccc(O)c(O)c2)C(=O)c2ccccc12)c1ccc(O)c(O)c1 Show InChI InChI=1S/C29H23NO7S/c1-17-6-10-20(11-7-17)38(36,37)30-23-5-3-2-4-21(23)29(35)22(14-18-8-12-24(31)26(33)15-18)28(30)19-9-13-25(32)27(34)16-19/h2-16,28,31-34H,1H3/b22-14+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Sao Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trans-sialidase using Trifluoromethylumbelliferyl alpha-sialoside as substrate by UV/visible spectrophotometer				Bioorg Med Chem 25: 6049-6059 (2017) Article DOI: 10.1016/j.bmc.2017.09.042 BindingDB Entry DOI: 10.7270/Q21Z4700
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50094297 (CHEMBL3590101) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](Cc2cc3ccccc3[nH]2)C(O)=O)[C@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.81E+4	n/a	n/a	n/a	n/a	n/a
FCFRP - USP Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay				Bioorg Med Chem 23: 3414-25 (2015) Article DOI: 10.1016/j.bmc.2015.04.044 BindingDB Entry DOI: 10.7270/Q2028T8V
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50094300 (CHEMBL3590102) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](CCCCN)C(O)=O)[C@H]1O |r| Show InChI InChI=1S/C27H47N5O3/c28-13-7-16-29-14-4-5-15-30-17-8-18-31-27(35)25(20-23-11-6-12-24(33)19-23)32-26(34)21-22-9-2-1-3-10-22/h6,11-12,19,22,25,29-30,33H,1-5,7-10,13-18,20-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a
FCFRP - USP Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay				Bioorg Med Chem 23: 3414-25 (2015) Article DOI: 10.1016/j.bmc.2015.04.044 BindingDB Entry DOI: 10.7270/Q2028T8V
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50094301 (CHEMBL3590103) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](CC(O)=O)C(O)=O)[C@H]1O |r| Show InChI InChI=1S/C27H47N5O3/c28-14-6-17-29-15-4-5-16-30-18-7-19-31-27(35)25(20-23-10-12-24(33)13-11-23)32-26(34)21-22-8-2-1-3-9-22/h10-13,22,25,29-30,33H,1-9,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a
FCFRP - USP Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay				Bioorg Med Chem 23: 3414-25 (2015) Article DOI: 10.1016/j.bmc.2015.04.044 BindingDB Entry DOI: 10.7270/Q2028T8V
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50094302 (CHEMBL3590104) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](Cc2ccc(O)cc2)C(O)=O)[C@H]1O |r| Show InChI InChI=1S/C27H39N3O5/c28-13-7-17-34-15-4-5-16-35-18-8-14-29-27(33)25(20-23-11-6-12-24(31)19-23)30-26(32)21-22-9-2-1-3-10-22/h1-3,6,9-12,19,25,31H,4-5,7-8,13-18,20-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	n/a
FCFRP - USP Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay				Bioorg Med Chem 23: 3414-25 (2015) Article DOI: 10.1016/j.bmc.2015.04.044 BindingDB Entry DOI: 10.7270/Q2028T8V
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50094303 (CHEMBL3590105) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCOCCOCCn3cc(CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H45N3O5/c28-13-7-17-34-15-4-5-16-35-18-8-14-29-27(33)25(20-23-11-6-12-24(31)19-23)30-26(32)21-22-9-2-1-3-10-22/h6,11-12,19,22,25,31H,1-5,7-10,13-18,20-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
FCFRP - USP Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type galectin 3 first carbohydrate recognition domain after 60 mins by surface plasmon resonance immunosensor as...				Bioorg Med Chem 23: 3414-25 (2015) Article DOI: 10.1016/j.bmc.2015.04.044 BindingDB Entry DOI: 10.7270/Q2028T8V
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50094303 (CHEMBL3590105) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCOCCOCCn3cc(CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H45N3O5/c28-13-7-17-34-15-4-5-16-35-18-8-14-29-27(33)25(20-23-11-6-12-24(31)19-23)30-26(32)21-22-9-2-1-3-10-22/h6,11-12,19,22,25,31H,1-5,7-10,13-18,20-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a
FCFRP - USP Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type galectin 3 second carbohydrate recognition domain after 60 mins by surface plasmon resonance immunosensor a...				Bioorg Med Chem 23: 3414-25 (2015) Article DOI: 10.1016/j.bmc.2015.04.044 BindingDB Entry DOI: 10.7270/Q2028T8V
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50370453 (LACTOSE | Lactose, anhydrous) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	9.26E+4	n/a	n/a	n/a	n/a	n/a
FCFRP - USP Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay				Bioorg Med Chem 23: 3414-25 (2015) Article DOI: 10.1016/j.bmc.2015.04.044 BindingDB Entry DOI: 10.7270/Q2028T8V
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50451461 (CHEMBL4207873) Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H]1O |r| Show InChI InChI=1S/C16H22N4O8S/c1-26-16-14(23)15(13(22)12(7-21)28-16)27-8-9-6-20(19-18-9)10-2-4-11(5-3-10)29(17,24)25/h2-6,12-16,21-23H,7-8H2,1H3,(H2,17,24,25)/t12-,13+,14-,15+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.07E+4	n/a	n/a	n/a	n/a
University of Sao Paulo Curated by ChEMBL					Assay Description Binding affinity to recombinant human galectin-3 expressed in Escherichia coli BL21 after 3 hrs				Bioorg Med Chem 25: 6049-6059 (2017) Article DOI: 10.1016/j.bmc.2017.09.042 BindingDB Entry DOI: 10.7270/Q21Z4700
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50451462 (CHEMBL4207339) Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NC(C)=O)[C@H]1O |r| Show InChI InChI=1S/C18H24N4O9S/c1-10(24)20-32(27,28)13-5-3-12(4-6-13)22-7-11(19-21-22)9-30-17-15(25)14(8-23)31-18(29-2)16(17)26/h3-7,14-18,23,25-26H,8-9H2,1-2H3,(H,20,24)/t14-,15+,16-,17+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.05E+5	n/a	n/a	n/a	n/a
University of Sao Paulo Curated by ChEMBL					Assay Description Binding affinity to recombinant human galectin-3 expressed in Escherichia coli BL21 after 3 hrs				Bioorg Med Chem 25: 6049-6059 (2017) Article DOI: 10.1016/j.bmc.2017.09.042 BindingDB Entry DOI: 10.7270/Q21Z4700
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50451463 (CHEMBL4212225) Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)[C@H]1O |r| Show InChI InChI=1S/C20H25N5O9S/c1-11-7-16(22-34-11)23-35(29,30)14-5-3-13(4-6-14)25-8-12(21-24-25)10-32-19-17(27)15(9-26)33-20(31-2)18(19)28/h3-8,15,17-20,26-28H,9-10H2,1-2H3,(H,22,23)/t15-,17+,18-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a
University of Sao Paulo Curated by ChEMBL					Assay Description Binding affinity to recombinant human galectin-3 expressed in Escherichia coli BL21 after 3 hrs				Bioorg Med Chem 25: 6049-6059 (2017) Article DOI: 10.1016/j.bmc.2017.09.042 BindingDB Entry DOI: 10.7270/Q21Z4700
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50451464 (CHEMBL4211695) Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)[C@H]1O |r| Show InChI InChI=1S/C22H28N6O8S/c1-12-8-13(2)24-22(23-12)26-37(32,33)16-6-4-15(5-7-16)28-9-14(25-27-28)11-35-20-18(30)17(10-29)36-21(34-3)19(20)31/h4-9,17-21,29-31H,10-11H2,1-3H3,(H,23,24,26)/t17-,18+,19-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.77E+4	n/a	n/a	n/a	n/a
University of Sao Paulo Curated by ChEMBL					Assay Description Binding affinity to recombinant human galectin-3 expressed in Escherichia coli BL21 after 3 hrs				Bioorg Med Chem 25: 6049-6059 (2017) Article DOI: 10.1016/j.bmc.2017.09.042 BindingDB Entry DOI: 10.7270/Q21Z4700
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50451465 (CHEMBL4216668) Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)Nc2cc(OC)nc(OC)n2)[C@H]1O |r| Show InChI InChI=1S/C22H28N6O10S/c1-34-17-8-16(23-22(24-17)36-3)26-39(32,33)14-6-4-13(5-7-14)28-9-12(25-27-28)11-37-20-18(30)15(10-29)38-21(35-2)19(20)31/h4-9,15,18-21,29-31H,10-11H2,1-3H3,(H,23,24,26)/t15-,18+,19-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a
University of Sao Paulo Curated by ChEMBL					Assay Description Binding affinity to recombinant human galectin-3 expressed in Escherichia coli BL21 after 3 hrs				Bioorg Med Chem 25: 6049-6059 (2017) Article DOI: 10.1016/j.bmc.2017.09.042 BindingDB Entry DOI: 10.7270/Q21Z4700
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50094294 (CHEMBL3590099) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H]([C@@H](C)O)C(O)=O)[C@H]1O |r| Show InChI InChI=1S/C14H23N3O9/c1-6(19)9(13(22)23)17-3-7(15-16-17)5-25-12-10(20)8(4-18)26-14(24-2)11(12)21/h3,6,8-12,14,18-21H,4-5H2,1-2H3,(H,22,23)/t6-,8-,9+,10+,11-,12+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.82E+4	n/a	n/a	n/a	n/a	n/a
FCFRP - USP Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay				Bioorg Med Chem 23: 3414-25 (2015) Article DOI: 10.1016/j.bmc.2015.04.044 BindingDB Entry DOI: 10.7270/Q2028T8V
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50094296 (CHEMBL3590100) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H](Cc2ccccc2)C(O)=O)[C@H]1O |r| Show InChI InChI=1S/C19H25N3O8/c1-28-19-16(25)17(15(24)14(9-23)30-19)29-10-12-8-22(21-20-12)13(18(26)27)7-11-5-3-2-4-6-11/h2-6,8,13-17,19,23-25H,7,9-10H2,1H3,(H,26,27)/t13-,14+,15-,16+,17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.96E+3	n/a	n/a	n/a	n/a	n/a
FCFRP - USP Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay				Bioorg Med Chem 23: 3414-25 (2015) Article DOI: 10.1016/j.bmc.2015.04.044 BindingDB Entry DOI: 10.7270/Q2028T8V
					More data for this Ligand-Target Pair