Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'fradico' and Initial = 'jr'   

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
Cruzipain (Trypanosoma cruzi)	BDBM50330928 (2-[(Phenylthio)propylide-1-enehydrazinyl]-5-methyl...) Show SMILES Cc1sc(N=NCCCSc2ccccc2)nc1O |w:4.3| Show InChI InChI=1S/C13H15N3OS2/c1-10-12(17)15-13(19-10)16-14-8-5-9-18-11-6-3-2-4-7-11/h2-4,6-7,17H,5,8-9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400185 (CHEMBL2180342) Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18| Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400195 (CHEMBL2180344) Show SMILES CC(COc1ccccc1)=NN=C1SC(C(=S)N1c1ccccc1)c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C24H21N3OS2/c1-18(17-28-21-15-9-4-10-16-21)25-26-24-27(20-13-7-3-8-14-20)23(29)22(30-24)19-11-5-2-6-12-19/h2-16,22H,17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400188 (CHEMBL2180670) Show SMILES CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6| Show InChI InChI=1S/C16H21N3O2S/c1-11(2)14-15(20)19(4)16(22-14)18-17-12(3)10-21-13-8-6-5-7-9-13/h5-9,11,20H,10H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50015950 (1,3-bis(2-chloroethyl)-1-nitrosourea | Bicnu (TN) ...) Show SMILES ClCCNC(=O)N(CCCl)N=O Show InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400197 (CHEMBL2180347) Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccc(OC)cc1 |w:6.5,4.17| Show InChI InChI=1S/C21H23N3O3S/c1-4-19-20(25)24(16-10-12-17(26-3)13-11-16)21(28-19)23-22-15(2)14-27-18-8-6-5-7-9-18/h5-13,19H,4,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400186 (CHEMBL2180341) Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:6.5,4.17| Show InChI InChI=1S/C20H21N3O2S/c1-3-18-19(24)23(16-10-6-4-7-11-16)20(26-18)22-21-15(2)14-25-17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400187 (CHEMBL2180339) Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400195 (CHEMBL2180344) Show SMILES CC(COc1ccccc1)=NN=C1SC(C(=S)N1c1ccccc1)c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C24H21N3OS2/c1-18(17-28-21-15-9-4-10-16-21)25-26-24-27(20-13-7-3-8-14-20)23(29)22(30-24)19-11-5-2-6-12-19/h2-16,22H,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400196 (CHEMBL2180340) Show SMILES CC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:5.4,3.16| Show InChI InChI=1S/C19H19N3O2S/c1-14(13-24-17-11-7-4-8-12-17)20-21-19-22(18(23)15(2)25-19)16-9-5-3-6-10-16/h3-12,15H,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400194 (CHEMBL2180346) Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccc(C)cc1 |w:6.5,4.17| Show InChI InChI=1S/C21H23N3O2S/c1-4-19-20(25)24(17-12-10-15(2)11-13-17)21(27-19)23-22-16(3)14-26-18-8-6-5-7-9-18/h5-13,19H,4,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400193 (CHEMBL2180345) Show SMILES CCc1sc(N=NC(C)COc2ccccc2)nc1S |w:6.6| Show InChI InChI=1S/C14H17N3OS2/c1-3-12-13(19)15-14(20-12)17-16-10(2)9-18-11-7-5-4-6-8-11/h4-8,10,19H,3,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM68089 ((2E,6E)-2,6-bis(4-pyridylmethylene)cyclohexanone |...) Show SMILES O=C1\C(CCC\C1=C/c1ccncc1)=C\c1ccncc1 Show InChI InChI=1S/C18H16N2O/c21-18-16(12-14-4-8-19-9-5-14)2-1-3-17(18)13-15-6-10-20-11-7-15/h4-13H,1-3H2/b16-12+,17-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400193 (CHEMBL2180345) Show SMILES CCc1sc(N=NC(C)COc2ccccc2)nc1S |w:6.6| Show InChI InChI=1S/C14H17N3OS2/c1-3-12-13(19)15-14(20-12)17-16-10(2)9-18-11-7-5-4-6-8-11/h4-8,10,19H,3,9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400192 (CHEMBL2180665) Show SMILES CC(COc1ccccc1)N=Nc1nc(O)c(s1)C(C)C |w:10.10| Show InChI InChI=1S/C15H19N3O2S/c1-10(2)13-14(19)16-15(21-13)18-17-11(3)9-20-12-7-5-4-6-8-12/h4-8,10-11,19H,9H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400191 (CHEMBL2180349) Show SMILES CC(COc1ccccc1)N=Nc1nc(cs1)-c1ccccc1 |w:10.10| Show InChI InChI=1S/C18H17N3OS/c1-14(12-22-16-10-6-3-7-11-16)20-21-18-19-17(13-23-18)15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate at 20 uM preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50330927 (2-[(p-Methylphenylthio)ethylidenehydrazinyl]-5-met...) Show SMILES Cc1sc(N=NCCSc2ccc(C)cc2)nc1O |w:4.3| Show InChI InChI=1S/C13H15N3OS2/c1-9-3-5-11(6-4-9)18-8-7-14-16-13-15-12(17)10(2)19-13/h3-6,17H,7-8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400189 (CHEMBL2180669) Show SMILES CCc1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:6.5| Show InChI InChI=1S/C15H19N3O2S/c1-4-13-14(19)18(3)15(21-13)17-16-11(2)10-20-12-8-6-5-7-9-12/h5-9,19H,4,10H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50240380 (2,6-Bis-(benzylidene)-cyclohexanone | 2,6-Bis-[1-p...) Show SMILES O=C1\C(CCC\C1=C/c1ccccc1)=C\c1ccccc1 Show InChI InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50445457 (CHEMBL2036339) Show SMILES O=C1\C(CC\C1=C/c1ccncc1)=C\c1ccncc1 Show InChI InChI=1S/C17H14N2O/c20-17-15(11-13-3-7-18-8-4-13)1-2-16(17)12-14-5-9-19-10-6-14/h3-12H,1-2H2/b15-11+,16-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50445458 (CHEMBL3104697) Show SMILES [O-][N+](=O)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 Show InChI InChI=1S/C19H14N2O5/c22-19-15(11-13-1-7-17(8-2-13)20(23)24)5-6-16(19)12-14-3-9-18(10-4-14)21(25)26/h1-4,7-12H,5-6H2/b15-11+,16-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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 Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50445459 (2,5-Bis(4-(Dimethylamino)Benzylidene)Cyclopentanon...) Show SMILES CN(C)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1 Show InChI InChI=1S/C23H26N2O/c1-24(2)21-11-5-17(6-12-21)15-19-9-10-20(23(19)26)16-18-7-13-22(14-8-18)25(3)4/h5-8,11-16H,9-10H2,1-4H3/b19-15+,20-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50264834 (2,6-bis(4-methylbenzylidene)cyclohexanone | CHEMBL...) Show SMILES Cc1ccc(\C=C2/CCC\C(=C/c3ccc(C)cc3)C2=O)cc1 Show InChI InChI=1S/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3/b20-14+,21-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50445460 (CHEMBL3104696) Show SMILES Cc1ccc(\C=C2/CC\C(=C/c3ccc(C)cc3)C2=O)cc1 Show InChI InChI=1S/C21H20O/c1-15-3-7-17(8-4-15)13-19-11-12-20(21(19)22)14-18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50240380 (2,6-Bis-(benzylidene)-cyclohexanone | 2,6-Bis-[1-p...) Show SMILES O=C1\C(CCC\C1=C/c1ccccc1)=C\c1ccccc1 Show InChI InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50240847 (2,5-Bis-[1-phenyl-meth-(E)-ylidene]-cyclopentanone...) Show SMILES O=C1\C(CC\C1=C/c1ccccc1)=C\c1ccccc1 Show InChI InChI=1S/C19H16O/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2/b17-13+,18-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50445450 (CHEMBL3104704) Show SMILES OCCc1cn(Cc2ccc(\C=C3/CC\C(=C/c4ccc(Cn5cc(CCO)nn5)cc4)C3=O)cc2)nn1 Show InChI InChI=1S/C29H30N6O3/c36-13-11-27-19-34(32-30-27)17-23-5-1-21(2-6-23)15-25-9-10-26(29(25)38)16-22-3-7-24(8-4-22)18-35-20-28(12-14-37)31-33-35/h1-8,15-16,19-20,36-37H,9-14,17-18H2/b25-15+,26-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445448 (CHEMBL3104706) Show SMILES [N-]=[N+]=NCc1ccc(\C=C2/CC\C(=C/c3ccc(CN=[N+]=[N-])cc3)C2=O)cc1 Show InChI InChI=1S/C21H18N6O/c22-26-24-13-17-5-1-15(2-6-17)11-19-9-10-20(21(19)28)12-16-3-7-18(8-4-16)14-25-27-23/h1-8,11-12H,9-10,13-14H2/b19-11+,20-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445449 (CHEMBL3104705) Show SMILES O=C1\C(CC\C1=C/c1ccc(Cn2cc(nn2)-c2ccccc2)cc1)=C\c1ccc(Cn2cc(nn2)-c2ccccc2)cc1 Show InChI InChI=1S/C37H30N6O/c44-37-33(21-27-11-15-29(16-12-27)23-42-25-35(38-40-42)31-7-3-1-4-8-31)19-20-34(37)22-28-13-17-30(18-14-28)24-43-26-36(39-41-43)32-9-5-2-6-10-32/h1-18,21-22,25-26H,19-20,23-24H2/b33-21+,34-22+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445450 (CHEMBL3104704) Show SMILES OCCc1cn(Cc2ccc(\C=C3/CC\C(=C/c4ccc(Cn5cc(CCO)nn5)cc4)C3=O)cc2)nn1 Show InChI InChI=1S/C29H30N6O3/c36-13-11-27-19-34(32-30-27)17-23-5-1-21(2-6-23)15-25-9-10-26(29(25)38)16-22-3-7-24(8-4-22)18-35-20-28(12-14-37)31-33-35/h1-8,15-16,19-20,36-37H,9-14,17-18H2/b25-15+,26-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445451 (CHEMBL3104703) Show SMILES O=C1\C(CCC\C1=C/c1ccc[nH]1)=C\c1ccc[nH]1 Show InChI InChI=1S/C16H16N2O/c19-16-12(10-14-6-2-8-17-14)4-1-5-13(16)11-15-7-3-9-18-15/h2-3,6-11,17-18H,1,4-5H2/b12-10+,13-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445452 (CHEMBL3104702) Show SMILES O=C1\C(CC\C1=C/c1ccc[nH]1)=C\c1ccc[nH]1 Show InChI InChI=1S/C15H14N2O/c18-15-11(9-13-3-1-7-16-13)5-6-12(15)10-14-4-2-8-17-14/h1-4,7-10,16-17H,5-6H2/b11-9+,12-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445453 (CHEMBL3104701) Show SMILES O=C1\C(CCC\C1=C/c1cccc2cnccc12)=C\c1cccc2cnccc12 Show InChI InChI=1S/C26H20N2O/c29-26-20(14-18-4-1-8-22-16-27-12-10-24(18)22)6-3-7-21(26)15-19-5-2-9-23-17-28-13-11-25(19)23/h1-2,4-5,8-17H,3,6-7H2/b20-14+,21-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445454 (CHEMBL3104700) Show SMILES O=C1\C(CC\C1=C/c1cccc2cnccc12)=C\c1cccc2cnccc12 Show InChI InChI=1S/C25H18N2O/c28-25-19(13-17-3-1-5-21-15-26-11-9-23(17)21)7-8-20(25)14-18-4-2-6-22-16-27-12-10-24(18)22/h1-6,9-16H,7-8H2/b19-13+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445455 (CHEMBL3104699) Show SMILES O=C1\C(CCC\C1=C/c1ccnc2ccccc12)=C\c1ccnc2ccccc12 Show InChI InChI=1S/C26H20N2O/c29-26-20(16-18-12-14-27-24-10-3-1-8-22(18)24)6-5-7-21(26)17-19-13-15-28-25-11-4-2-9-23(19)25/h1-4,8-17H,5-7H2/b20-16+,21-17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445456 (CHEMBL3104698) Show SMILES O=C1\C(CC\C1=C/c1ccnc2ccccc12)=C\c1ccnc2ccccc12 Show InChI InChI=1S/C25H18N2O/c28-25-19(15-17-11-13-26-23-7-3-1-5-21(17)23)9-10-20(25)16-18-12-14-27-24-8-4-2-6-22(18)24/h1-8,11-16H,9-10H2/b19-15+,20-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50445449 (CHEMBL3104705) Show SMILES O=C1\C(CC\C1=C/c1ccc(Cn2cc(nn2)-c2ccccc2)cc1)=C\c1ccc(Cn2cc(nn2)-c2ccccc2)cc1 Show InChI InChI=1S/C37H30N6O/c44-37-33(21-27-11-15-29(16-12-27)23-42-25-35(38-40-42)31-7-3-1-4-8-31)19-20-34(37)22-28-13-17-30(18-14-28)24-43-26-36(39-41-43)32-9-5-2-6-10-32/h1-18,21-22,25-26H,19-20,23-24H2/b33-21+,34-22+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445457 (CHEMBL2036339) Show SMILES O=C1\C(CC\C1=C/c1ccncc1)=C\c1ccncc1 Show InChI InChI=1S/C17H14N2O/c20-17-15(11-13-3-7-18-8-4-13)1-2-16(17)12-14-5-9-19-10-6-14/h3-12H,1-2H2/b15-11+,16-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445458 (CHEMBL3104697) Show SMILES [O-][N+](=O)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 Show InChI InChI=1S/C19H14N2O5/c22-19-15(11-13-1-7-17(8-2-13)20(23)24)5-6-16(19)12-14-3-9-18(10-4-14)21(25)26/h1-4,7-12H,5-6H2/b15-11+,16-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL 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 Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50241499 (2,6-bis(4-(dimethylamino)benzylidene)cyclohexanone...) Show SMILES CN(C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1 Show InChI InChI=1S/C24H28N2O/c1-25(2)22-12-8-18(9-13-22)16-20-6-5-7-21(24(20)27)17-19-10-14-23(15-11-19)26(3)4/h8-17H,5-7H2,1-4H3/b20-16+,21-17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445459 (2,5-Bis(4-(Dimethylamino)Benzylidene)Cyclopentanon...) Show SMILES CN(C)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1 Show InChI InChI=1S/C23H26N2O/c1-24(2)21-11-5-17(6-12-21)15-19-9-10-20(23(19)26)16-18-7-13-22(14-8-18)25(3)4/h5-8,11-16H,9-10H2,1-4H3/b19-15+,20-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50264834 (2,6-bis(4-methylbenzylidene)cyclohexanone | CHEMBL...) Show SMILES Cc1ccc(\C=C2/CCC\C(=C/c3ccc(C)cc3)C2=O)cc1 Show InChI InChI=1S/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3/b20-14+,21-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50445460 (CHEMBL3104696) Show SMILES Cc1ccc(\C=C2/CC\C(=C/c3ccc(C)cc3)C2=O)cc1 Show InChI InChI=1S/C21H20O/c1-15-3-7-17(8-4-15)13-19-11-12-20(21(19)22)14-18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50240847 (2,5-Bis-[1-phenyl-meth-(E)-ylidene]-cyclopentanone...) Show SMILES O=C1\C(CC\C1=C/c1ccccc1)=C\c1ccccc1 Show InChI InChI=1S/C19H16O/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2/b17-13+,18-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50241499 (2,6-bis(4-(dimethylamino)benzylidene)cyclohexanone...) Show SMILES CN(C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1 Show InChI InChI=1S/C24H28N2O/c1-25(2)22-12-8-18(9-13-22)16-20-6-5-7-21(24(20)27)17-19-10-14-23(15-11-19)26(3)4/h8-17H,5-7H2,1-4H3/b20-16+,21-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50400185 (CHEMBL2180342) Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18| Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50400186 (CHEMBL2180341) Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:6.5,4.17| Show InChI InChI=1S/C20H21N3O2S/c1-3-18-19(24)23(16-10-6-4-7-11-16)20(26-18)22-21-15(2)14-25-17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50400187 (CHEMBL2180339) Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50400188 (CHEMBL2180670) Show SMILES CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6| Show InChI InChI=1S/C16H21N3O2S/c1-11(2)14-15(20)19(4)16(22-14)18-17-12(3)10-21-13-8-6-5-7-9-13/h5-9,11,20H,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair

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