Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'valente' and Initial = 'wc'   

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
Thioredoxin glutathione reductase (Schistosoma mansoni)	BDBM50532918 (CHEMBL1325877) Show SMILES COc1ccc(cc1)C(=O)c1no[n+]([O-])c1C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H14N2O6/c1-24-13-7-3-11(4-8-13)17(21)15-16(20(23)26-19-15)18(22)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Thioredoxin glutathione reductase (Schistosoma mansoni)	BDBM50532918 (CHEMBL1325877) Show SMILES COc1ccc(cc1)C(=O)c1no[n+]([O-])c1C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H14N2O6/c1-24-13-7-3-11(4-8-13)17(21)15-16(20(23)26-19-15)18(22)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Thioredoxin glutathione reductase (Schistosoma mansoni)	BDBM47913 (MLS001030320 | N-(4-nitro-1,2,5-oxadiazol-3-yl)-2-...) Show SMILES [O-][N+](=O)c1nonc1NC(=O)CSc1ccccn1 Show InChI InChI=1S/C9H7N5O4S/c15-6(5-19-7-3-1-2-4-10-7)11-8-9(14(16)17)13-18-12-8/h1-4H,5H2,(H,11,12,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Thioredoxin glutathione reductase (Schistosoma mansoni)	BDBM47913 (MLS001030320 | N-(4-nitro-1,2,5-oxadiazol-3-yl)-2-...) Show SMILES [O-][N+](=O)c1nonc1NC(=O)CSc1ccccn1 Show InChI InChI=1S/C9H7N5O4S/c15-6(5-19-7-3-1-2-4-10-7)11-8-9(14(16)17)13-18-12-8/h1-4H,5H2,(H,11,12,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Thioredoxin glutathione reductase (Schistosoma mansoni)	BDBM50532917 (CHEMBL1455957) Show SMILES CCc1nc2c([nH]1)c1no[n+]([O-])c1c1no[n+]([O-])c21 Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h2H2,1H3,(H,10,11)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Thioredoxin glutathione reductase (Schistosoma mansoni)	BDBM50532917 (CHEMBL1455957) Show SMILES CCc1nc2c([nH]1)c1no[n+]([O-])c1c1no[n+]([O-])c21 Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h2H2,1H3,(H,10,11)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50532920 (CHEMBL4522839) Show SMILES O=S(=O)(Cc1ccccc1)c1nc2ccccc2s1 Show InChI InChI=1S/C14H11NO2S2/c16-19(17,10-11-6-2-1-3-7-11)14-15-12-8-4-5-9-13(12)18-14/h1-9H,10H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-FR-AMC fluorogenic peptide substrate preincubated for 5 mins followed by substrate addition				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50532919 (CHEMBL4534899) Show SMILES Ic1ccc(cc1)N1C(=O)CC(Sc2nnc[nH]2)C1=O Show InChI InChI=1S/C12H9IN4O2S/c13-7-1-3-8(4-2-7)17-10(18)5-9(11(17)19)20-12-14-6-15-16-12/h1-4,6,9H,5H2,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-FR-AMC fluorogenic peptide substrate preincubated for 5 mins followed by substrate addition				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50532916 (CHEMBL1380406) Show SMILES Cc1noc(\C=C\c2ccccn2)c1[N+]([O-])=O Show InChI InChI=1S/C11H9N3O3/c1-8-11(14(15)16)10(17-13-8)6-5-9-4-2-3-7-12-9/h2-7H,1H3/b6-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-FR-AMC fluorogenic peptide substrate preincubated for 5 mins followed by substrate addition				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50532921 (CHEMBL594404) Show SMILES COc1ccc(\C=C\[N+]([O-])=O)cc1OC Show InChI InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-FR-AMC fluorogenic peptide substrate preincubated for 5 mins followed by substrate addition				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50532921 (CHEMBL594404) Show SMILES COc1ccc(\C=C\[N+]([O-])=O)cc1OC Show InChI InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-FR-AMC fluorogenic peptide substrate preincubated for 5 mins followed by substrate addition				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50532920 (CHEMBL4522839) Show SMILES O=S(=O)(Cc1ccccc1)c1nc2ccccc2s1 Show InChI InChI=1S/C14H11NO2S2/c16-19(17,10-11-6-2-1-3-7-11)14-15-12-8-4-5-9-13(12)18-14/h1-9H,10H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-FR-AMC fluorogenic peptide substrate preincubated for 5 mins followed by substrate addition				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50532919 (CHEMBL4534899) Show SMILES Ic1ccc(cc1)N1C(=O)CC(Sc2nnc[nH]2)C1=O Show InChI InChI=1S/C12H9IN4O2S/c13-7-1-3-8(4-2-7)17-10(18)5-9(11(17)19)20-12-14-6-15-16-12/h1-4,6,9H,5H2,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-FR-AMC fluorogenic peptide substrate preincubated for 5 mins followed by substrate addition				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50532916 (CHEMBL1380406) Show SMILES Cc1noc(\C=C\c2ccccn2)c1[N+]([O-])=O Show InChI InChI=1S/C11H9N3O3/c1-8-11(14(15)16)10(17-13-8)6-5-9-4-2-3-7-12-9/h2-7H,1H3/b6-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-FR-AMC fluorogenic peptide substrate preincubated for 5 mins followed by substrate addition				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038 BindingDB Entry DOI: 10.7270/Q2M3308Z
					More data for this Ligand-Target Pair